SCHEMBL5642391

SCHEMBL5642391

CS(=O)(=O)c1ccccc1-c1ccc(N2C[C@@]3(C(N)=O)[CH]CCCN3C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.40
FPR2 P25090 5/20 0.40
F9 P00740 1/20 0.40
CYP11B2 P19099 1/20 0.35
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
FPR1 P21462 2/20 0.33
PDE4B Q07343 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33

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
SCHEMBL5642936 0.94 F10 (0.41) F10FPR2F9CYP11B2ALOX5AP
SCHEMBL5641568 0.91 SCN9A (0.36) F10ALOX5APFEN1F2
SCHEMBL5640726 0.85 F10 (0.36) F10ALOX5APFEN1F2
SCHEMBL5641394 0.81 F10 (0.44) F10F2
SCHEMBL5641183 0.77 F10 (0.34) F10F2
SCHEMBL5643049 0.77 F10 (0.42) F10FPR2FPR1OPRM1
SCHEMBL5641466 0.74 CA1 (0.33) F10
SCHEMBL5641266 0.74 ALDH1A1 (0.34)
SCHEMBL5640056 0.74 ALDH1A1 (0.43) F10F2
SCHEMBL5639761 0.74 OPRM1 (0.45) F10OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 F10 18/4885FPR2 3505/4885F9 30/4885

“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.