SCHEMBL6740033

SCHEMBL6740033

N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3cccc4c3S(=O)(=O)NC4)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.67
PRSS1 P07477 14/20 0.67
PRSS2 P07478 14/20 0.67
PRSS3 P35030 14/20 0.67
F10 P00742 12/20 0.67
F9 P00740 5/20 0.60
KLKB1 P03952 2/20 0.53

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
SCHEMBL7093121 0.93 F2 (0.66) F2PRSS1PRSS2PRSS3F10
SCHEMBL7091736 0.89 F2 (0.68) F2PRSS1PRSS2PRSS3F10
SCHEMBL6742753 0.87 F2 (0.68) F2PRSS1PRSS2PRSS3F10
SCHEMBL6737998 0.87 KLKB1 (0.68) F2PRSS1PRSS2PRSS3F10
SCHEMBL7091734 0.86 F2 (0.67) F2PRSS1PRSS2PRSS3F10
SCHEMBL6740053 0.86 F10 (0.51) F2PRSS1PRSS2PRSS3F10
SCHEMBL7084382 0.85 F2 (0.67) F2PRSS1PRSS2PRSS3F10
SCHEMBL6743095 0.85 F10 (0.51) F2PRSS1PRSS2PRSS3F10
SCHEMBL6743079 0.84 KLKB1 (0.53) F2PRSS1PRSS2PRSS3F10
SCHEMBL6742706 0.83 F10 (0.53) F2PRSS1PRSS2PRSS3F10

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-1175419-B1 ARYL SULFONYLS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-28 EP claimed
US-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors WEXLER RUTH R (US) 2003-03-13 US claimed
US-6399644-B1 ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY 2002-06-04 US claimed
US-6689770-B2 AN INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES, AS ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
EP-1175419-B1 ARYL SULFONYLS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-28 EP disclosed
US-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors WEXLER RUTH R (US) 2003-03-13 US disclosed
US-6399644-B1 ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY 2002-06-04 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 (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-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors F12, F11, TFPI F2 13/4885PRSS1 26/4885PRSS2 104/4885

“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.