SCHEMBL3960748

SCHEMBL3960748

COc1cccc(CCOS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.49
CHRM1 P11229 3/20 0.49
CHRM3 P20309 3/20 0.49
PKM P14618 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TMEM97 Q5BJF2 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MAOB P27338 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 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
SCHEMBL10836094 0.92 CHRM2 (0.50) CHRM2CHRM1CHRM3PKML3MBTL1
SCHEMBL18289526 0.89 CYP19A1 (0.50) L3MBTL1CA1CA2CA9BCHE
SCHEMBL6654974 0.88 LMNA (0.56) CHRM2CHRM1CHRM3TAAR1LMNA
SCHEMBL31618046 0.87 HTT (0.51) L3MBTL1
SCHEMBL6963150 0.87 CHRM2 (0.47) CHRM2CHRM1CHRM3PKML3MBTL1
SCHEMBL8993165 0.86 PKM (0.52) CHRM2CHRM1CHRM3PKML3MBTL1
SCHEMBL6803332 0.83 ALDH1A1 (0.55) LMNABCHEACHE
SCHEMBL9842931 0.83 CA12 (0.56) LMNACA1CA2CA9
SCHEMBL6001846 0.83 MGLL (0.46) CA1CA2CA7CA9
SCHEMBL8098024 0.82 EGFR (0.51) TAAR1CA1CA9MAOBBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
US-20060089340-A1 Novel steroids and steroid mimetics; method for their production; and use thereof STERIX LIMITED (GB) 2006-04-27 US disclosed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO disclosed
EP-1314733-A1 Indole-2-carboxamides as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2003-05-28 EP disclosed
US-20020132802-A1 Cytoprotective polycyclic compounds WASHINGTON UNIVERISTY 2002-09-19 US disclosed
WO-2002040032-A2 CYTOPROTECTIVE ESTROGEN DERIVATIVES WASHINGTON UNIVERSITY (US) 2002-05-23 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 (5 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-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 CHRM2 40/4885CHRM1 43/4885CHRM3 262/4885
US-20060089340-A1 Novel steroids and steroid mimetics; method for their production; and use thereof CYP17A1, CYP21A2, HSD17B1 CHRM2 4389/4885CHRM1 3871/4885CHRM3 3776/4885
US-20020132802-A1 Cytoprotective polycyclic compounds NFE2L2, TXNRD2, ESR2 CHRM2 3351/4885CHRM1 3081/4885CHRM3 3101/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 CHRM2 161/4885CHRM1 149/4885CHRM3 933/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 CHRM2 41/4885CHRM1 44/4885CHRM3 254/4885

“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.