SCHEMBL7144598

SCHEMBL7144598

O=C(O)CN1CC=CC=C(NS(=O)(=O)Cc2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
F2 P00734 1/20 0.38
HSD17B10 Q99714 2/20 0.36
ACLY P53396 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL11007717 0.72 ACE (0.31) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL7342145 0.69 CYP1A2 (0.44) CYP2D6CYP2C9CYP2C19
SCHEMBL385229 0.67 CA12 (0.36) HPGDKMT2APOLBCYP2D6CYP2C9
SCHEMBL23511281 0.67 HPGD (0.41) HPGDKMT2ACA1CA2MMP1
SCHEMBL6030175 0.65 KDM4E (0.44) HPGDKMT2ACA1CA2MMP1
SCHEMBL5117233 0.64 F2 (0.58) POLBF2ACLYKDM4EALDH1A1
SCHEMBL5860343 0.64 F2 (0.71) F2
SCHEMBL8086000 0.64 F2 (0.71) F2
SCHEMBL4432108 0.63 F2 (0.77) F2
SCHEMBL7365043 0.63 KMT2A (0.52) HPGDKMT2APOLBCYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6432921-B2 OLIGOPEPTIDES 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-5932733-A INHIBITOR OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1999-08-03 US disclosed
EP-0765339-B1 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES CONTAINING AN ARGININE MIMIC AS ENZYME INHIBITORS CORVAS INT INC (US) 1999-01-27 EP disclosed
EP-0858464-A1 THROMBIN INHIBITORS Akzo Nobel N.V. (NL) 1998-08-19 EP disclosed
WO-1997017363-A1 THROMBIN INHIBITORS AKZO NOBEL N.V. (NL) 1997-05-15 WO disclosed
EP-0765339-A1 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES CONTAINING AN ARGININE MIMIC AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-04-02 EP disclosed
WO-1995035313-A1 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES CONTAINING AN ARGININE MIMIC AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1995-12-28 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 (2 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 HPGD 1895/4885KMT2A 3042/4885POLB 1572/4885
US-20010007764-A1 THROMBIN INHIBITORS SERPINC1, DAO, F2 HPGD 1419/4885KMT2A 2263/4885POLB 2188/4885

“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.