SCHEMBL6730848

SCHEMBL6730848

CCOC(=O)/C(=C\Nc1ccccc1)CC

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
DHODH Q02127 5/20 0.57
GAA P10253 5/20 0.56
MAPT P10636 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL7602247 1.00 CYP1A2 (0.62) CYP1A2CYP2C19DHODHGAAMAPT
SCHEMBL12786929 0.88 DHODH (0.72) CYP1A2CYP2C19DHODHGAAMAPT
SCHEMBL28194226 0.87 SMN1; SMN2 (0.55) CYP1A2CYP2C19DHODHGAAMAPT
SCHEMBL395324 0.84 DHODH (0.77) CYP1A2CYP2C19DHODHGAAMAPT
SCHEMBL12786889 0.83 DHODH (0.53) CYP1A2CYP2C19DHODHGAAMAPT
SCHEMBL19339180 0.83 CYP1A2 (0.63) CYP1A2CYP2C19DHODHGAAMAPT
SCHEMBL8964150 0.83 CYP1A2 (0.63) CYP1A2CYP2C19DHODHGAAMAPT
SCHEMBL15936570 0.81 DHODH (0.68) CYP1A2CYP2C19DHODHGAAMAPT
SCHEMBL1733506 0.81 DHODH (0.68) CYP1A2CYP2C19DHODHGAAMAPT
SCHEMBL12285267 0.81 DHODH (0.68) CYP1A2CYP2C19DHODHGAAMAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364073-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-11-16 US disclosed
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-20160354316-A1 PROCESS OF PREPARING PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-08 US disclosed
US-20160324846-A1 Pharmaceutical Compositions for the Treatment of CFTR Mediated Diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-10 US disclosed
US-20150320736-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED 2015-11-12 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-8835639-B2 Process for making modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-16 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-20140163068-A1 Pharmaceutical Compositions for the Treatment of CFTR Mediated Diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-12 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-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

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-20160324846-A1 Pharmaceutical Compositions for the Treatment of CFTR Mediated Diseases CFTR, CLCN2, CLIC1 CYP1A2 2438/4885CYP2C19 2071/4885DHODH 2442/4885
US-20170327456-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 CYP1A2 772/4885CYP2C19 1206/4885DHODH 2370/4885
US-20140012003-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 CYP1A2 772/4885CYP2C19 1206/4885DHODH 2370/4885
US-20130072522-A1 Process for Making Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SLC26A4, TMEM109 CYP1A2 772/4885CYP2C19 1206/4885DHODH 2370/4885
US-20140350281-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 CYP1A2 772/4885CYP2C19 1206/4885DHODH 2370/4885
US-20150320736-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES CFTR, SLC26A4, PKD1 CYP1A2 4536/4885CYP2C19 4069/4885DHODH 4020/4885
US-20160354316-A1 PROCESS OF PREPARING PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR MEDIATED DISEASES CFTR, CLIC1, PKD2 CYP1A2 1195/4885CYP2C19 1171/4885DHODH 1612/4885
US-20150073015-A2 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 CYP1A2 772/4885CYP2C19 1206/4885DHODH 2370/4885
US-20140163068-A1 Pharmaceutical Compositions for the Treatment of CFTR Mediated Diseases CFTR, CLCN2, CLIC1 CYP1A2 2438/4885CYP2C19 2071/4885DHODH 2442/4885
US-20170096396-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 CYP1A2 772/4885CYP2C19 1206/4885DHODH 2370/4885
US-20120122921-A1 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 CYP1A2 772/4885CYP2C19 1206/4885DHODH 2370/4885
US-20150315151-A2 PROCESS FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SLC26A4, TMEM109 CYP1A2 772/4885CYP2C19 1206/4885DHODH 2370/4885
US-20230364073-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR MEDIATED DISEASES CFTR, CLCN2, CLIC1 CYP1A2 2438/4885CYP2C19 2071/4885DHODH 2442/4885

“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.