SCHEMBL2853694

SCHEMBL2853694

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F7 P08709 8/20 0.38
F3 P13726 8/20 0.38
POLB P06746 1/20 0.37
ROCK2 O75116 5/20 0.36
F2 P00734 3/20 0.36
F10 P00742 3/20 0.36
F11 P03951 3/20 0.36
TACR3 P29371 1/20 0.35
SYK P43405 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
GRM4 Q14833 1/20 0.33
ROCK1 Q13464 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
SCHEMBL2914505 0.92 F7 (0.42) F7F3ROCK2F2F10
SCHEMBL2854787 0.92 F7 (0.39) F7F3F2F10F11
SCHEMBL2853690 0.91 F7 (0.38) F7F3POLBROCK2F2
SCHEMBL2854584 0.90 F7 (0.39) F7F3F2F10F11
SCHEMBL2853524 0.88 F7 (0.41) F7F3F2F10F11
SCHEMBL2855265 0.88 F7 (0.41) F7F3F2F10F11
SCHEMBL2853036 0.86 RPS6KB1 (0.36) POLBROCK2SYKAURKARPS6KB1
SCHEMBL2850797 0.86 F7 (0.37) F7F3F2F10F11
SCHEMBL2848623 0.86 F7 (0.35) F7F3F2F10F11
SCHEMBL4657711 0.86 F7 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 10/4885POLB 2996/4885

“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.