SCHEMBL6957150

SCHEMBL6957150

Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)O

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.75
PRSS1 P07477 6/20 0.70
PRSS2 P07478 2/20 0.70
PRSS3 P35030 2/20 0.70

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
SCHEMBL7643508 0.90 F2 (0.84) F2PRSS1PRSS2PRSS3
SCHEMBL6957416 0.88 F2 (0.70) F2PRSS1PRSS2PRSS3
SCHEMBL5854771 0.88 F2 (0.78) F2PRSS1
SCHEMBL4904924 0.87 F2 (0.67) F2PRSS1PRSS2PRSS3
SCHEMBL7643080 0.86 F2 (0.75) F2PRSS1PRSS2PRSS3
SCHEMBL7077320 0.85 F2 (0.71) F2PRSS1PRSS2PRSS3
SCHEMBL7639399 0.84 F2 (0.75) F2PRSS1PRSS2PRSS3
SCHEMBL7447701 0.84 F2 (0.75) F2PRSS1PRSS2PRSS3
SCHEMBL7448903 0.83 F2 (0.60) F2PRSS1PRSS2PRSS3
SCHEMBL7513014 0.83 F2 (0.73) F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610701-B2 For therapy and prophylaxis of blood coagulation and cardiovascular disorders MERCK & CO., INC. 2003-08-26 US disclosed
EP-1189899-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2003-02-12 EP disclosed
US-20020193398-A1 Thrombin inhibitors MERCK & CO., INC. 2002-12-19 US disclosed
US-6462050-B1 FOR TREATING OR PREVENTING VENOUS, CARDIOGENIC, AND ARTERIAL THROMBOSIS/EMBOLISM, ATHERSCLEROSIS, AND FOR LOWERING PROPENSITY OF DEVICES THAT COME INTO CONTACT WITH BLOOD TO CLOT BLOOD MERCK & CO., INC. 2002-10-08 US disclosed
US-6455532-B1 ANTICOAGULANTS MERCK & CO., INC. 2002-09-24 US disclosed
US-20020035115-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2002-03-21 US disclosed
US-6350745-B1 DIOXO-(PYRIDOOXAZINE) DERIVATIVES; ANTICOAGULANTS; CARDIOVASCULAR DISORDERS MERCK & CO., INC. 2002-02-26 US disclosed
WO-2002009711-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-02-07 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-20020193398-A1 Thrombin inhibitors F2, F3, TFPI F2 1/4885PRSS1 55/4885PRSS2 74/4885
US-20020035115-A1 Thrombin inhibitors TFPI, PLAT, F2 F2 3/4885PRSS1 55/4885PRSS2 96/4885

“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.