SCHEMBL17700620

SCHEMBL17700620

CNCc1cc(NC(=O)COCc2cc(C(Nc3ccc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc4c3)C(=O)O)ccc2OC)ccc1S(=O)(=O)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F7 P08709 19/20 0.41
F3 P13726 19/20 0.41
F10 P00742 14/20 0.41
F2 P00734 13/20 0.41
F11 P03951 10/20 0.41
KLK1 P06870 1/20 0.37
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL17705214 0.94 F7 (0.40) F7F3F10F2F11
SCHEMBL18892520 0.92 F7 (0.39) F7F3F10F2F11
SCHEMBL17700809 0.89 F7 (0.38) F7F3F10F2F11
SCHEMBL16307102 0.87 F7 (0.41) F7F3F10F2F11
SCHEMBL16307103 0.85 F7 (0.42) F7F3F10F2F11
SCHEMBL17700582 0.85 F7 (0.42) F7F3F10F2F11
SCHEMBL16307076 0.84 F7 (0.42) F7F3F10F2F11
SCHEMBL17700684 0.83 F7 (0.38) F7F3F10F2F11
SCHEMBL17700732 0.83 F7 (0.38) F7F3F10F2F11
SCHEMBL17705218 0.81 F7 (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 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-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 F7 1/4885F3 14/4885F10 15/4885

“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.