SCHEMBL6440329

SCHEMBL6440329

COC(=O)[C@@H](Cc1ccccc1)NCC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.58
ITGB7 P26010 2/20 0.58
KLK5 Q9Y337 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ATM Q13315 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 2/20 0.49
CTSS P25774 2/20 0.48
LMNA P02545 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
MDM4 O15151 1/20 0.47

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
SCHEMBL4022463 1.00 ITGA4 (0.58) ITGA4ITGB7KLK5MEN1KMT2A
SCHEMBL4022466 1.00 ITGA4 (0.58) ITGA4ITGB7KLK5MEN1KMT2A
SCHEMBL6428127 0.93 ITGA4 (0.62) ITGA4ITGB7KLK5ATMMAPT
SCHEMBL7438704 0.90 YAP1 (0.57) ITGA4ITGB7MEN1KMT2AALDH1A1
SCHEMBL7438699 0.90 YAP1 (0.57) ITGA4ITGB7MEN1KMT2AALDH1A1
SCHEMBL6600210 0.90 ITGA4 (0.53) ITGA4ITGB7KLK5MEN1KMT2A
SCHEMBL7439390 0.90 ITGA4 (0.53) ITGA4ITGB7KLK5MEN1KMT2A
SCHEMBL7439396 0.90 ITGA4 (0.53) ITGA4ITGB7KLK5MEN1KMT2A
SCHEMBL2476918 0.89 ACE (0.54) ITGA4ITGB7ATMMAPTTDP1
SCHEMBL3026223 0.89 ACE (0.54) ITGA4ITGB7ATMMAPTTDP1

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
EP-0858464-B1 THROMBIN INHIBITORS AKZO NOBEL NV (NL) 2003-05-07 EP disclosed
US-20020142967-A1 Thrombin inhibitors ADANG A E P (NL) 2002-10-03 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-6432921-B2 OLIGOPEPTIDES AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-20010007764-A1 THROMBIN INHIBITORS N.V. ORGANON (NL) 2001-07-12 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
EP-0956293-A1 THROMBIN INHIBITORS Akzo Nobel N.V. (NL) 1999-11-17 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 WO disclosed
EP-0858464-A1 THROMBIN INHIBITORS Akzo Nobel N.V. (NL) 1998-08-19 EP disclosed
WO-1998007308-A2 THROMBIN INHIBITORS AKZO NOBEL N.V. (NL) 1998-02-26 WO disclosed
WO-1997017363-A1 THROMBIN INHIBITORS AKZO NOBEL N.V. (NL) 1997-05-15 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 (3 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-20020142967-A1 Thrombin inhibitors SERPINC1, DAO, CTRL ITGA4 294/4885ITGB7 1376/4885KLK5 4593/4885
US-20010007764-A1 THROMBIN INHIBITORS SERPINC1, DAO, F2 ITGA4 587/4885ITGB7 514/4885KLK5 3825/4885
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 ITGA4 785/4885ITGB7 838/4885KLK5 3104/4885

“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.