SCHEMBL2853690

SCHEMBL2853690

COc1cccc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F7 P08709 9/20 0.38
F3 P13726 9/20 0.38
ROCK2 O75116 6/20 0.37
F2 P00734 4/20 0.37
F10 P00742 4/20 0.37
F11 P03951 3/20 0.37
POLB P06746 1/20 0.36
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
GRM4 Q14833 1/20 0.34
ROCK1 Q13464 1/20 0.34
TACR3 P29371 1/20 0.34
SYK P43405 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 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
SCHEMBL2854785 0.92 F7 (0.40) F7F3F2F10F11
SCHEMBL2848673 0.92 F7 (0.43) F7F3ROCK2F2F10
SCHEMBL2853694 0.91 F7 (0.38) F7F3ROCK2F2F10
SCHEMBL2910996 0.90 F7 (0.46) F7F3F2F10F11
SCHEMBL14009101 0.90 F7 (0.39) F7F3ROCK2F2F10
SCHEMBL13613688 0.89 F7 (0.38) F7F3F2F10F11
SCHEMBL2854580 0.89 F7 (0.38) F7F3F2F10F11
SCHEMBL2852267 0.89 F7 (0.38) F7F3F2F10F11
SCHEMBL4999802 0.87 F7 (0.37) F7F3F2F10F11
SCHEMBL2853520 0.87 F7 (0.42) F7F3F2F10F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8808952-B2 Composition for forming charge transporting film, electrophotographic photoreceptor, process cartridge, and image forming apparatus FUJI XEROX CO., LTD. (JP) 2014-08-19 US disclosed
EP-1910298-B1 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-01-13 EP disclosed
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
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 10/4885ROCK2 3308/4885

“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.