SCHEMBL3862848

SCHEMBL3862848

CC(C)(C)OC(=O)N(OC(C)(C)C)c1nccc2cc(NC(C(=O)O)c3ccc(CCC(=O)OCc4ccccc4)cc3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F7 P08709 11/20 0.39
F3 P13726 11/20 0.39
F10 P00742 7/20 0.36
F2 P00734 6/20 0.36
F11 P03951 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
BACE1 P56817 4/20 0.34
ROCK2 O75116 1/20 0.34
CYP26A1 O43174 1/20 0.34
NPR3 P17342 1/20 0.34
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33
GRM4 Q14833 1/20 0.33

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
SCHEMBL3861501 0.96 F7 (0.38) F7F3F10F2F11
SCHEMBL3858776 0.95 F7 (0.38) F7F3F10F2F11
SCHEMBL3862843 0.93 F7 (0.40) F7F3F10F2F11
SCHEMBL3860271 0.91 F7 (0.38) F7F3F10F2F11
SCHEMBL3861497 0.88 F7 (0.39) F7F3F10F2F11
SCHEMBL3858773 0.88 F7 (0.39) F7F3F10F2F11
SCHEMBL3866374 0.86 F7 (0.43) F7F3F10F2F11
SCHEMBL3860267 0.83 F7 (0.39) F7F3F10F2F11
SCHEMBL3864911 0.83 F7 (0.42) F7F3F10F2F11
SCHEMBL3865478 0.82 F7 (0.42) 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.