SCHEMBL14739772

SCHEMBL14739772

NS(=O)(=O)c1ccc(-c2[nH]c3ncccc3c2Sc2ccc(Cl)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.45
MAPK10 P53779 1/20 0.40
CA2 P00918 4/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 3/20 0.39
CA4 P22748 2/20 0.39
CA12 O43570 2/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
FAAH O00519 1/20 0.39
KCNH2 Q12809 1/20 0.39
IKBKB O14920 2/20 0.38
DYRK1A Q13627 1/20 0.37
PTGS1 P23219 1/20 0.37
ENPP3 O14638 1/20 0.37
CHUK O15111 1/20 0.37
CHRNA7 P36544 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36

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
SCHEMBL14739403 0.86 PTGS2 (0.50) PTGS2CA2CA1CA9CA4
SCHEMBL14753448 0.82 MAPT (0.51)
SCHEMBL7707563 0.82 MAPK14 (0.38) FAAHKCNH2MAPK13MAPK12MAPK11
SCHEMBL14739334 0.81 MAPK13 (0.36) FAAHKCNH2MAPK13MAPK12MAPK11
SCHEMBL14739529 0.79 CDK1 (0.42) FAAHKCNH2MAPK13MAPK12MAPK11
SCHEMBL14753440 0.78 FAAH (0.33) FAAHKCNH2MAPK13MAPK12MAPK11
SCHEMBL14753445 0.78 MAPT (0.33) FAAHKCNH2MAPK13MAPK12MAPK11
SCHEMBL7714660 0.77 FAAH (0.32) FAAHKCNH2MAPK13MAPK12MAPK11
SCHEMBL14753451 0.77 TGFBR1 (0.38) MAPK13MAPK12MAPK11MAPK14
SCHEMBL14739401 0.77 MAPK13 (0.36) FAAHKCNH2MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 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 (1 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-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, IDO1 PTGS2 322/4885MAPK10 4063/4885CA2 2677/4885

“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.