SCHEMBL6791372

SCHEMBL6791372

O=C(O)CCCNC(=O)CNS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.77
TPSAB1 Q15661 1/20 0.67
CTSS P25774 1/20 0.63
PKM P14618 1/20 0.62
KAT6A Q92794 1/20 0.55
F2 P00734 1/20 0.53
F10 P00742 1/20 0.53
EPHX1 P07099 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TBXA2R P21731 1/20 0.48

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
SCHEMBL6792727 0.87 ALDH1A1 (1.00) ALDH1A1KAT6ATBXA2R
SCHEMBL6800184 0.87 ALDH1A1 (0.78) ALDH1A1TPSAB1CTSSPKMKAT6A
Hydrochloric Acid SCHEMBL6791749 0.82 TPSAB1 (0.70) ALDH1A1TPSAB1CTSSPKMKAT6A
SCHEMBL7973186 0.82 ALDH1A1 (0.90) ALDH1A1EPHX1TBXA2R
SCHEMBL6792532 0.82 ALDH1A1 (0.84) ALDH1A1KAT6ATBXA2R
SCHEMBL6438335 0.81 ALDH1A1 (0.69) ALDH1A1CTSSPKMKAT6AKMT2A
SCHEMBL1771503 0.79 CTSS (0.67) ALDH1A1TPSAB1CTSSPKMKAT6A
SCHEMBL6786683 0.77 ACACB (0.64) ALDH1A1TPSAB1CTSSPKMKAT6A
SCHEMBL6786575 0.77 F10 (0.52) ALDH1A1TPSAB1CTSSPKMF2
SCHEMBL6787195 0.75 CTSS (0.56) ALDH1A1TPSAB1CTSSPKMKAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730672-B2 PROTEASE INHIBITOR ZENECA LIMITED (GB) 2004-05-04 US disclosed
US-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2002-08-29 US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 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-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents SERPINC1, F2, SULT1E1 ALDH1A1 1423/4885TPSAB1 939/4885CTSS 4403/4885

“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.