SCHEMBL4686605

SCHEMBL4686605

N=C(N)c1cccc(S(=O)(=O)NC2CCCN(c3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.50
PLG P00747 1/20 0.46
PROC P04070 1/20 0.46
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45

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
Trifluoroacetic Acid SCHEMBL4683869 0.94 F10 (0.52) F10F2PRSS1PRSS2PRSS3
SCHEMBL4683512 0.90 FPR2 (0.56) F10
SCHEMBL4679795 0.79 F10 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL6986718 0.75 F10 (0.60) F10PLGPROCF2PRSS1
SCHEMBL6996107 0.74 F10 (0.62) F10PLGPROCF2PRSS1
SCHEMBL2699984 0.71 F10 (0.54) F10F2PRSS1PRSS2PRSS3
SCHEMBL6988224 0.71 F10 (0.47) F10F2PRSS1
SCHEMBL7059855 0.69 F10 (0.62) F10PLGPROCF2PRSS1
SCHEMBL4680065 0.69 F10 (0.54) F10F2
SCHEMBL7078167 0.68 F10 (0.58) F10F2PRSS1PRSS2PRSS3

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 3 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

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-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 F10 9/4885PLG 122/4885PROC 18/4885

“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.