SCHEMBL17700797

SCHEMBL17700797

C[C@H](CC(=O)Nc1ccc(OC(F)F)c(CN(C)C(=O)OCC[Si](C)(C)C)c1)c1cc(C(Nc2ccc(C#N)cc2)C(=O)O)ccc1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F7 P08709 6/20 0.37
F2 P00734 5/20 0.37
F10 P00742 5/20 0.37
PRSS1 P07477 5/20 0.37
F3 P13726 3/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
CYP19A1 P11511 1/20 0.35
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
PPIA P62937 1/20 0.32
LTA4H P09960 1/20 0.31
RORC P51449 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SGMS2 Q8NHU3 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
SCHEMBL17700798 1.00 F7 (0.37) F7F2F10PRSS1F3
SCHEMBL16293430 0.86 LRRK2 (0.38) MAPTLMNAKDM4EALDH1A1NPSR1
SCHEMBL17700566 0.86 F2 (0.42) F7F2F10PRSS1F3
SCHEMBL16293431 0.86 LRRK2 (0.38) MAPTLMNAKDM4EALDH1A1NPSR1
SCHEMBL17700567 0.86 F2 (0.42) F7F2F10PRSS1F3
SCHEMBL17700805 0.84 LMNA (0.36) CYP19A1MAPTLMNAKDM4EALDH1A1
SCHEMBL17700804 0.84 LMNA (0.36) CYP19A1MAPTLMNAKDM4EALDH1A1
SCHEMBL18892540 0.78 RORC (0.32) F7F2F10PRSS1F3
SCHEMBL17706521 0.77 RORC (0.34) F7F2F10PRSS1F3
SCHEMBL17700691 0.74 F2 (0.35) F7F2F10PRSS1F3

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 1/4885F2 12/4885F10 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.