SCHEMBL6434896

SCHEMBL6434896

O=C(O)[C@H](CO)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.61
SLC1A2 P43004 1/20 0.61
SLC1A1 P43005 1/20 0.61
MMP2 P08253 6/20 0.54
ALDH1A1 P00352 1/20 0.52
KAT6A Q92794 2/20 0.52
POLB P06746 1/20 0.52
MMP9 P14780 4/20 0.51
ADAMTS4 O75173 3/20 0.51
F2 P00734 1/20 0.51
MMP13 P45452 3/20 0.50
MMP8 P22894 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
PKLR P30613 1/20 0.49

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
SCHEMBL7340546 1.00 SLC1A3 (0.61) SLC1A3SLC1A2SLC1A1MMP2ALDH1A1
SCHEMBL6964707 0.87 SLC1A3 (0.64) SLC1A3SLC1A2SLC1A1MMP2ALDH1A1
SCHEMBL15731854 0.87 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1MMP2ALDH1A1
SCHEMBL8388664 0.87 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1MMP2ALDH1A1
SCHEMBL8388668 0.87 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1MMP2ALDH1A1
SCHEMBL15708513 0.87 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1MMP2ALDH1A1
SCHEMBL7955730 0.87 SLC1A3 (0.64) SLC1A3SLC1A2SLC1A1MMP2ALDH1A1
SCHEMBL30919401 0.87 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1MMP2ALDH1A1
SCHEMBL3310154 0.86 MMP2 (0.71) SLC1A3SLC1A2SLC1A1MMP2ALDH1A1
Hydrochloric Acid SCHEMBL7654060 0.86 SLC1A3 (0.62) SLC1A3SLC1A2SLC1A1MMP2ALDH1A1

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 16 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
US-5847125-A Amino acid derivatives with anticholecystokinin activity JAMES BLACK FOUNDATION LIMITED (GB) 1998-12-08 US disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 WO disclosed
US-5741792-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
US-5741799-A ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-21 US disclosed
EP-0625141-B1 AMINO ACID DERIVATIVES WITH ANTICHOLECYSTOKININ ACTIVITY BLACK JAMES FOUNDATION (GB) 1997-04-16 EP disclosed
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
EP-0625141-A1 AMINO ACID DERIVATIVES WITH ANTICHOLECYSTOKININ ACTIVITY. BLACK JAMES FOUNDATION (GB) 1994-11-23 EP disclosed
EP-0623595-A1 Guanidinyl- or amidinyl-substituted heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-11-09 EP disclosed
WO-1993014066-A1 AMINO ACID DERIVATIVES WITH ANTICHOLECYSTOKININ ACTIVITY JAMES BLACK FOUNDATION LIMITED (GB) 1993-07-22 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 SLC1A3 4435/4885SLC1A2 4287/4885SLC1A1 3647/4885

“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.