SCHEMBL6436714

SCHEMBL6436714

CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.63
MMP9 P14780 7/20 0.63
ADAMTS4 O75173 1/20 0.63
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
POLB P06746 1/20 0.59
ITGB3 P05106 2/20 0.58
ITGA2B P08514 1/20 0.58
ADAMTS5 Q9UNA0 1/20 0.56
MMP1 P03956 1/20 0.56
MMP3 P08254 1/20 0.56
MMP7 P09237 1/20 0.56
MMP13 P45452 1/20 0.56
HTT P42858 1/20 0.56
ITGAV P06756 1/20 0.53
PPARG P37231 1/20 0.52
MME P08473 1/20 0.51

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
SCHEMBL698062 1.00 MMP2 (0.63) MMP2MMP9ADAMTS4ALDH1A1MAPT
Benzene SCHEMBL28198278 1.00 MMP2 (0.63) MMP2MMP9ADAMTS4ALDH1A1MAPT
SCHEMBL698061 1.00 MMP2 (0.63) MMP2MMP9ADAMTS4ALDH1A1MAPT
SCHEMBL27445164 0.94 MMP2 (0.57) MMP2MMP9ADAMTS4ALDH1A1MAPT
D-Phenylalanine SCHEMBL8609785 0.91 ALPI (0.63) MMP2MMP9ADAMTS4ALDH1A1MAPT
SCHEMBL9012465 0.89 MME (0.60) MMP2MMP9ADAMTS4MME
SCHEMBL16473194 0.88 MMP2 (0.50) MMP2MMP9ADAMTS4ALDH1A1MAPT
SCHEMBL16886887 0.87 CYP3A4 (0.57) MMP2MMP9ADAMTS4ALDH1A1MAPT
SCHEMBL16886884 0.87 CYP3A4 (0.57) MMP2MMP9ADAMTS4ALDH1A1MAPT
SCHEMBL11471487 0.87 POLB (0.49) MMP2MMP9ADAMTS4ALDH1A1MAPT

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 17 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
US-5792869-A REACTING PIPERAZINE DERIVATIVE WITH SULFONAMIDE DERIVATIVE OF OPTICALLY ACTIVE AMINO ACID, PRECIPITATING LESS SOLUBLE SALT, SEPARATING, DECOMPOSING TO DESIRED DIASTEREOMER YAMAKAWA CHEMICAL INDUSTRY CO., LTD (JP) 1998-08-11 US disclosed
US-5741799-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
US-5741792-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
EP-0832879-A1 Process for preparing intermediates for thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-01 EP disclosed
EP-0710652-B1 Process for preparing optically active piperazine derivatives and intermediates for preparation YAMAKAWA CHEMICAL IND (JP) 1998-03-04 EP disclosed
US-5610308-A Process for preparing intermediates for thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1997-03-11 US disclosed
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
EP-0743320-A2 Acyl guanidine and amidine prodrugs BRISTOL-MYERS SQUIBB COMPANY (US) 1996-11-20 EP disclosed
EP-0710652-A2 Process for preparing optically active piperazine derivatives and intermediates for preparation YAMAKAWA CHEMICAL INDUSTRY CO., LTD. (JP) 1996-05-08 EP 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 MMP2 879/4885MMP9 477/4885ADAMTS4 416/4885

“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.