Sugi Predict

Sugi Predict / Compounds / SCHEMBL769472

SCHEMBL769472

SCHEMBL769472

COC(=O)OCC(C)(C)c1cc(C(C)(C)C)c([N+](=O)[O-])cc1COC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ TSHR P16473 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.34
▸ USP10 Q14694 1/20 0.33
▸ POLB P06746 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CES2 O00748 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ AR P10275 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ AADAC P22760 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL769471 1.00 ALDH1A1 (0.36) ALDH1A1TSHRTDP1NPSR1USP10
SCHEMBL769470 0.93 ALDH1A1 (0.38) ALDH1A1TSHRTDP1NPSR1USP10
SCHEMBL27869482 0.87 ALDH1A1 (0.40) ALDH1A1TSHRTDP1NPSR1USP10
SCHEMBL769266 0.81 — —
SCHEMBL6730684 0.81 POLB (0.36) ALDH1A1TSHRTDP1NPSR1POLB
SCHEMBL28413275 0.80 ALDH1A1 (0.41) ALDH1A1TSHRTDP1NPSR1USP10
SCHEMBL784675 0.80 POLB (0.37) ALDH1A1TSHRTDP1NPSR1POLB
SCHEMBL28556722 0.78 MAPT (0.39) ALDH1A1TSHRTDP1NPSR1LMNA
SCHEMBL377153 0.78 ALDH1A1 (0.38) ALDH1A1TSHRTDP1NPSR1USP10
SCHEMBL377154 0.78 ALDH1A1 (0.38) ALDH1A1TSHRTDP1NPSR1USP10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327456-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-11-16 — — US disclosed
US-9751839-B2 Process for making modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-05 — — US disclosed
US-20170096396-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-06 — — US disclosed
US-9371287-B2 Process for making modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-21 — — US disclosed
US-20150315151-A2 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 — — US disclosed
US-20150073015-A2 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2015-03-12 — — US disclosed
US-20140350281-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2014-11-27 — — US disclosed
US-20140303205-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2014-10-09 — — US disclosed
US-8835639-B2 Process for making modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-16 — — US disclosed
US-20140256770-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-11 — — US disclosed
US-20140228400-A2 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED 2014-08-14 — — US disclosed
US-8796308-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARAMACEUTICALS INCORPORATED (US) 2014-08-05 — — US disclosed
US-8765957-B2 Process for making modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-01 — — US disclosed
US-20140088142-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-27 — — US disclosed
US-20140012003-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-09 — — US disclosed
US-8614325-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-24 — — US disclosed
US-8476442-B2 Process for making modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-07-02 — — US disclosed
US-20130072522-A1 Process for Making Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-21 — — US disclosed
US-20120122921-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-17 — — US disclosed
US-20120071504-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170327456-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 ALDH1A1 948/4885TSHR 2315/4885TDP1 4850/4885
US-20140012003-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 ALDH1A1 948/4885TSHR 2315/4885TDP1 4850/4885
US-20130072522-A1 Process for Making Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SLC26A4, TMEM109 ALDH1A1 948/4885TSHR 2315/4885TDP1 4850/4885
US-20140303205-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, CLCN2 ALDH1A1 2280/4885TSHR 1197/4885TDP1 4869/4885
US-20140350281-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 ALDH1A1 948/4885TSHR 2315/4885TDP1 4850/4885
US-20150073015-A2 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 ALDH1A1 948/4885TSHR 2315/4885TDP1 4850/4885
US-20140256770-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 ALDH1A1 948/4885TSHR 2315/4885TDP1 4850/4885
US-20140088142-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, CLCN2 ALDH1A1 2280/4885TSHR 1197/4885TDP1 4869/4885
US-20170096396-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 ALDH1A1 948/4885TSHR 2315/4885TDP1 4850/4885
US-20120122921-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 ALDH1A1 948/4885TSHR 2315/4885TDP1 4850/4885
US-20150315151-A2 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 ALDH1A1 948/4885TSHR 2315/4885TDP1 4850/4885
US-20140228400-A2 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1B, CLCN2 ALDH1A1 2280/4885TSHR 1197/4885TDP1 4869/4885
US-20120071504-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, CLCN2 ALDH1A1 2280/4885TSHR 1197/4885TDP1 4869/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.