SCHEMBL16135841

SCHEMBL16135841

COc1ccc(S(=O)(=O)N2CCC(N(C(=O)c3ccccc3Cl)c3ccccn3)CC2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ HSD17B10 Q99714 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL16135885 0.93 SMN1; SMN2 (0.54) ALDH1A1HSD17B10USP2GAAALOX15
SCHEMBL16135768 0.89 ALDH1A1 (0.59) ALDH1A1HSD17B10USP2GAAALOX15
SCHEMBL16135850 0.89 RXFP1 (0.45) ALDH1A1LMNASMN1; SMN2POLBHTT
SCHEMBL16135884 0.81 ALDH1A1 (0.57) ALDH1A1HSD17B10GAALMNASMN1; SMN2
SCHEMBL16135854 0.81 POLB (0.52) ALDH1A1MAPK1LMNASMN1; SMN2POLB
SCHEMBL16135886 0.81 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRMAPK1LMNA
SCHEMBL16135767 0.79 SMN1; SMN2 (0.54) ALDH1A1HSD17B10USP2GAAALOX15
SCHEMBL19546232 0.75 ALDH1A1 (0.62) ALDH1A1HSD17B10USP2GAATSHR
SCHEMBL16135852 0.73 ALDH1A1 (0.54) ALDH1A1HSD17B10GAALMNAHTT
SCHEMBL16135771 0.72 POLB (0.51) ALDH1A1USP2TSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 — — US disclosed
US-9944603-B2 Compounds and methods for the treatment of cystic fibrosis FLATLEY DISCOVERY LAB, LLC (US) 2018-04-17 — — US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 — — US disclosed
US-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2017-11-02 — — US disclosed
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 — — US disclosed
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-12-18 — — US disclosed
WO-2014160478-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB (US) 2014-10-02 — — WO 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 (2 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-20170313659-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE ALDH1A1 514/4885HSD17B10 511/4885USP2 3040/4885
US-20140371238-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SERPINB1, ELANE ALDH1A1 514/4885HSD17B10 511/4885USP2 3040/4885

“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.

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