SCHEMBL17705273

SCHEMBL17705273

C[C@H](CC(=O)Nc1ccc(S(=O)(=O)C2CC2)c(CN(C)C)c1)c1cc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncc(F)c3c2)C(=O)O)ccc1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F7 P08709 4/20 0.37
F3 P13726 4/20 0.37
F2 P00734 3/20 0.37
F10 P00742 3/20 0.37
F11 P03951 1/20 0.37
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
NR1H4 Q96RI1 1/20 0.30
CYP19A1 P11511 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
SCHEMBL17705257 1.00 F7 (0.37) F7F3F2F10F11
SCHEMBL17700716 0.94 F2 (0.38) F7F3F2F10F11
SCHEMBL17700626 0.94 F2 (0.38) F7F3F2F10F11
SCHEMBL17700629 0.94 F2 (0.38) F7F3F2F10F11
SCHEMBL17700691 0.93 F2 (0.35) F7F3F2F10F11
SCHEMBL17700693 0.93 F2 (0.35) F7F3F2F10F11
SCHEMBL17700745 0.93 F2 (0.35) F7F3F2F10F11
SCHEMBL17705236 0.90 F7 (0.37) F7F3F2F10F11
SCHEMBL16307008 0.86 F2 (0.38) F7F3F2F10F11
SCHEMBL16307069 0.86 F2 (0.38) F7F3F2F10F11

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 14/4885F2 12/4885

“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.