SCHEMBL17705266

SCHEMBL17705266

COc1ccc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)C(=O)O)cc1CCC(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)c(CN(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F7 P08709 19/20 0.36
F3 P13726 19/20 0.36
F10 P00742 13/20 0.36
F2 P00734 12/20 0.36
F11 P03951 9/20 0.36
KLK1 P06870 1/20 0.35
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32

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
SCHEMBL18892499 0.94 F7 (0.35) F7F3F10F2F11
SCHEMBL17700684 0.93 F7 (0.38) F7F3F10F2F11
SCHEMBL17700721 0.92 F7 (0.35) F7F3F10F2F11
SCHEMBL16307021 0.84 F2 (0.33) F7F3F10F2F11
SCHEMBL17705214 0.83 F7 (0.40) F7F3F10F2F11
SCHEMBL17705222 0.82 F7 (0.37) F7F3F10F2F11
SCHEMBL17705211 0.80 F7 (0.41) F7F3F10F2F11
SCHEMBL2853520 0.79 F7 (0.42) F7F3F10F2F11
SCHEMBL2855262 0.79 F7 (0.42) F7F3F10F2F11
SCHEMBL17700681 0.78 F2 (0.32) 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-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

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.