SCHEMBL14008652

SCHEMBL14008652

CCOc1cc(C(Nc2ccc3c(N)nccc3c2)C(=O)NCc2cccc(S(C)(=O)=O)c2)ccc1OC(C)C

nearest known ligand 0.89

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.89
F3 P13726 20/20 0.89
F10 P00742 17/20 0.89
F2 P00734 16/20 0.89
F11 P03951 10/20 0.89
PRSS1 P07477 2/20 0.72
PRSS2 P07478 2/20 0.72
PRSS3 P35030 2/20 0.72

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 SCHEMBL4999729 0.95 F7 (0.82) F7F3F10F2F11
SCHEMBL14008644 0.94 F7 (1.00) F7F3F10F2F11
SCHEMBL14008647 0.94 F7 (1.00) F7F3F10F2F11
SCHEMBL14008657 0.92 F7 (0.90) F7F3F10F2F11
SCHEMBL14008650 0.91 F7 (1.00) F7F3F10F2F11
SCHEMBL14008648 0.91 F7 (1.00) F7F3F10F2F11
SCHEMBL14008891 0.91 F7 (0.88) F7F3F10F2F11
SCHEMBL5131092 0.91 F7 (1.00) F7F3F10F2F11
SCHEMBL4611721 0.90 F7 (1.00) F7F3F10F2F11
SCHEMBL4611737 0.90 F7 (1.00) F7F3F10F2F11

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-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 F7 3/4885F3 10/4885F10 19/4885

“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.