SCHEMBL4684603

SCHEMBL4684603

O=Cc1ccccc1-c1ccc(N2CCCC(NS(=O)(=O)c3ccc(Cl)s3)C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.58
FPR2 P25090 5/20 0.44
FPR1 P21462 3/20 0.44
HTR1A P08908 3/20 0.42
HTR7 P34969 3/20 0.42
DRD2 P14416 2/20 0.41
HTR6 P50406 2/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2699564 0.85 F10 (0.59) F10HTR1AHTR7DRD2HTR6
SCHEMBL4679637 0.83 F10 (0.56) F10FPR2FPR1HTR1AHTR7
SCHEMBL6712834 0.81 F10 (0.69) F10ALDH1A1GAAHPGDHTT
SCHEMBL18131025 0.78 F10 (0.53) F10HTR1AHTR7DRD2HTR6
SCHEMBL6991268 0.77 F10 (0.53) F10FPR2FPR1HTR1AHTR7
SCHEMBL4680558 0.74 F10 (1.00) F10
SCHEMBL6986018 0.72 F10 (0.68) F10
SCHEMBL4680171 0.71 F10 (0.74) F10
SCHEMBL4680578 0.70 F10 (0.69) F10
SCHEMBL6991426 0.69 F10 (0.59) F10HTR1AHTR7

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
EP-1337251-B1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2008-08-20 EP disclosed
US-6951872-B2 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-04 US disclosed
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors JACOBSON IRINA C (US) 2004-07-08 US disclosed
US-6710058-B2 USE AS ANTICOAGULANT AGENTS FOR THERAPY AND PROPHYLAXIS OFTHROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-23 US disclosed
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO disclosed
US-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-05 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 (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-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 F10 9/4885FPR2 1878/4885FPR1 470/4885
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 F10 9/4885FPR2 1878/4885FPR1 470/4885

“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.