SCHEMBL15947007

SCHEMBL15947007

O=C(O)c1nc(CCO)sc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.43
PTGS2 P35354 4/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.40
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL1258223 0.88 MAPK14 (0.45) MAPK14PTGS2PTGDR2ALOX5PTGS1
SCHEMBL14705610 0.81 MAPK14 (0.39) MAPK14PTGS2PTGDR2ALOX5PTGS1
SCHEMBL14705607 0.81 PTGS2 (0.39) MAPK14PTGS2PTGDR2ALOX5PTGS1
SCHEMBL3004677 0.77 MAPK14 (0.44) MAPK14PTGDR2ALOX5BCL2L1BAD
SCHEMBL1778318 0.76 HCRTR1 (0.45) MAPK14PTGDR2ALOX5BCL2L1BAD
SCHEMBL496233 0.76 KDM4E (0.52) MAPK14ALOX5BCL2L1BADALDH1A1
SCHEMBL270942 0.76 HCRTR1 (0.51) PTGS2ALOX5
SCHEMBL14706007 0.76 MAPK14 (0.43) MAPK14PTGDR2ALOX5BCL2L1BAD
SCHEMBL14705600 0.75 GRM2 (0.43) ALOX5ALDH1A1
SCHEMBL27789562 0.74 KDM4E (0.47) PTGS2ALOX5ALDH1A1CYP1A2CYP2C9

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-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2016-10-20 US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 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 (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-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 MAPK14 113/4885PTGS2 3631/4885PTGDR2 1995/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 MAPK14 113/4885PTGS2 3631/4885PTGDR2 1995/4885

“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.