SCHEMBL3858812

SCHEMBL3858812

CCS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(C(Nc3ccc4c(N(OC(C)(C)C)C(=O)OC(C)(C)C)nccc4c3)C(=O)O)cc2)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 14/20 0.36
F3 P13726 14/20 0.36
F10 P00742 8/20 0.36
F2 P00734 7/20 0.36
F11 P03951 5/20 0.36
NR1H4 Q96RI1 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
RORC P51449 2/20 0.30
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
SCHEMBL3859060 0.94 F7 (0.32) F7F3F10F2F11
SCHEMBL3857280 0.94 F7 (0.36) F7F3F10F2F11
SCHEMBL3858807 0.94 F7 (0.36) F7F3F10F2F11
SCHEMBL3857634 0.93 F7 (0.37) F7F3F10F2F11
SCHEMBL3858414 0.90 F7 (0.41) F7F3F10F2F11
SCHEMBL3859056 0.88 F7 (0.33) F7F3F10F2F11
SCHEMBL3857276 0.88 F7 (0.37) F7F3F10F2F11
SCHEMBL3857630 0.86 F7 (0.38) F7F3F10F2F11
SCHEMBL3862768 0.85 F7 (0.34) F7F3F10F2F11
SCHEMBL3862526 0.85 F7 (0.39) 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
EP-1971582-B1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2012-10-10 EP disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 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 (2 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-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 F7 2/4885F3 10/4885F10 8/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 F7 2/4885F3 10/4885F10 8/4885

“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.