SCHEMBL5006791

SCHEMBL5006791

CCOc1cc(OCC)cc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)C(=O)OC)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F7 P08709 17/20 0.39
F3 P13726 17/20 0.39
F10 P00742 12/20 0.39
PRSS1 P07477 4/20 0.39
PRSS2 P07478 4/20 0.39
PRSS3 P35030 4/20 0.39
NR1H4 Q96RI1 1/20 0.39
F2 P00734 10/20 0.36
F11 P03951 5/20 0.36
SYK P43405 1/20 0.36
GRM4 Q14833 1/20 0.34

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
SCHEMBL8253736 0.96 NR1H4 (0.37) F7F3F10PRSS1PRSS2
SCHEMBL4657710 0.92 F7 (0.48) F7F3F10PRSS1PRSS2
SCHEMBL5006792 0.91 F7 (0.37) F7F3F10PRSS1PRSS2
SCHEMBL2854785 0.85 F7 (0.40) F7F3F10PRSS1PRSS2
SCHEMBL2850817 0.84 F7 (0.44) F7F3F10NR1H4F2
SCHEMBL4657711 0.83 F7 (0.46) F7F3F10PRSS1PRSS2
SCHEMBL2851050 0.83 F7 (0.36) F7F3F10F2F11
SCHEMBL13613687 0.82 F7 (0.39) F7F3F10NR1H4F2
SCHEMBL14599570 0.81 F7 (0.45) F7F3F10PRSS1PRSS2
SCHEMBL13613642 0.81 F7 (0.36) F7F3F10PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 F7 3/4885F3 10/4885F10 19/4885

“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.