SCHEMBL6438360

SCHEMBL6438360

COc1ccc(C[C@@H](NC(C)=O)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.64
ITGA2B P08514 2/20 0.64
LDHA P00338 1/20 0.63
FPR2 P25090 1/20 0.63
KMT2A Q03164 1/20 0.62
CA2 P00918 1/20 0.60
ACACB O00763 1/20 0.58
LMNA P02545 1/20 0.57
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
PTPN1 P18031 1/20 0.52
ALB P02768 1/20 0.52
IL2 P60568 1/20 0.52

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
SCHEMBL4361126 1.00 ITGB3 (0.64) ITGB3ITGA2BLDHAFPR2KMT2A
SCHEMBL10660397 1.00 ITGB3 (0.64) ITGB3ITGA2BLDHAFPR2KMT2A
SCHEMBL27850537 0.96 ITGB3 (0.60) ITGB3ITGA2BLDHAFPR2KMT2A
SCHEMBL27850539 0.96 ITGB3 (0.60) ITGB3ITGA2BLDHAFPR2KMT2A
SCHEMBL16587684 0.91 ITGB3 (0.55) ITGB3ITGA2BLDHAFPR2KMT2A
SCHEMBL12330296 0.89 ACACB (0.59) ITGB3ITGA2BLDHAFPR2KMT2A
SCHEMBL8765951 0.88 LDHA (0.63) ITGB3ITGA2BLDHAFPR2KMT2A
SCHEMBL10663117 0.88 LDHA (0.63) ITGB3ITGA2BLDHAFPR2KMT2A
SCHEMBL5706152 0.88 ACACB (0.58) ITGB3ITGA2BLDHAFPR2KMT2A
SCHEMBL6662892 0.88 ACACB (0.58) ITGB3ITGA2BLDHAFPR2KMT2A

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 9 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-4111923-A LUTEINIZING HORMONE RELEASING FACTOR ANTAGONISTS PARKE, DAVIS & COMPANY (US) 1978-09-05 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 (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 ITGB3 199/4885ITGA2B 282/4885LDHA 2933/4885

“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.