SCHEMBL6435872

SCHEMBL6435872

COC(=O)[C@@H](Cc1ccccc1)NS(C)(=O)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.69
CA12 O43570 4/20 0.67
CA9 Q16790 4/20 0.67
CA2 P00918 3/20 0.67
CA7 P43166 2/20 0.67
CA14 Q9ULX7 2/20 0.67
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
ATM Q13315 2/20 0.57
ALDH1A1 P00352 3/20 0.56
THRB P10828 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CA1 P00915 2/20 0.53
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.52
ANPEP P15144 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL20334978 1.00 POLB (0.69) POLBCA12CA9CA2CA7
SCHEMBL6435869 1.00 POLB (0.69) POLBCA12CA9CA2CA7
SCHEMBL6577060 0.88 PPARG (0.60) POLBCA12CA9CA2CA7
SCHEMBL27466542 0.88 PPARG (0.60) POLBCA12CA9CA2CA7
SCHEMBL20335114 0.88 POLB (0.55) POLBCA12CA9CA2CA7
SCHEMBL9819677 0.88 POLB (0.55) POLBCA12CA9CA2CA7
SCHEMBL28198277 0.87 POLB (0.54) POLBCA12CA9CA2CA7
SCHEMBL9082689 0.86 CA12 (0.65) POLBCA12CA9CA2CA7
SCHEMBL9082684 0.86 CA12 (0.65) POLBCA12CA9CA2CA7
SCHEMBL698061 0.85 MMP2 (0.63) POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 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 (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-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 POLB 3817/4885CA12 892/4885CA9 442/4885

“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.