SCHEMBL8178134

SCHEMBL8178134

CC[C@@H]1CNC(=O)c2cc(NC(C(=O)O)c3ccc(OC)c(OC)c3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F7 P08709 15/20 0.46
F3 P13726 13/20 0.46
F2 P00734 4/20 0.44
F10 P00742 4/20 0.44
PRSS1 P07477 4/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HTT P42858 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
PDE4A P27815 1/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PLG P00747 1/20 0.35

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
SCHEMBL8184894 1.00 F7 (0.46) F7F3F2F10PRSS1
SCHEMBL12220006 0.88 F7 (0.57) F7F3F2F10PRSS1
SCHEMBL8178578 0.88 F7 (0.57) F7F3F2F10PRSS1
SCHEMBL8170385 0.81 F7 (0.54) F7F3F2F10PRSS1
SCHEMBL8186458 0.79 F7 (0.53) F7F3F2F10PRSS1
SCHEMBL8178276 0.78 F7 (0.54) F7F3F2F10PRSS1
SCHEMBL3092845 0.77 F7 (0.50) F7F3F2F10PRSS1
SCHEMBL12241515 0.76 F7 (0.74) F7F3PLG
SCHEMBL12241518 0.76 F7 (0.74) F7F3PLG
SCHEMBL2525805 0.75 F7 (0.85) F7F3PLG

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 US disclosed
WO-2008079759-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 WO 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-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F8, F9 F7 1/4885F3 12/4885F2 7/4885

“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.