SCHEMBL4427658

SCHEMBL4427658

Cc1ccc(NS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c(=O)n1CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.60
PRSS1 P07477 10/20 0.56
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
F10 P00742 1/20 0.50

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
SCHEMBL8366491 0.90 F2 (0.56) F2PRSS1PRSS2PRSS3F10
SCHEMBL4431628 0.88 F2 (0.58) F2PRSS1PRSS2PRSS3F10
SCHEMBL4421149 0.87 F2 (0.59) F2PRSS1PRSS2PRSS3F10
SCHEMBL4432108 0.86 F2 (0.77) F2PRSS1PRSS2PRSS3F10
SCHEMBL8368175 0.79 F2 (0.59) F2PRSS1PRSS2PRSS3F10
SCHEMBL5124074 0.77 F2 (0.75) F2PRSS1PRSS2PRSS3F10
SCHEMBL8366434 0.77 F2 (0.74) F2PRSS1PRSS2PRSS3F10
SCHEMBL4421155 0.76 F2 (0.57) F2PRSS1PRSS2PRSS3F10
SCHEMBL4421701 0.75 F2 (0.73) F2PRSS1PRSS2PRSS3F10
SCHEMBL13893826 0.75 F2 (0.63) F2F10

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-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2005-07-28 US disclosed
EP-1451175-A1 THROMBIN INHIBITORS University of Ljubljana (SI) 2004-09-01 EP disclosed
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 WO disclosed
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 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-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants SERPINC1, TFPI, SERPINE1 F2 7/4885PRSS1 86/4885PRSS2 116/4885

“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.