SCHEMBL2853036

SCHEMBL2853036

COc1cccc(C(Nc2cc(F)c3c(N(OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)C(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.36
AURKA O14965 1/20 0.36
POLB P06746 1/20 0.34
ROCK2 O75116 9/20 0.33
PRKG1 Q13976 5/20 0.33
PRKACA P17612 3/20 0.33
AKT1 P31749 3/20 0.33
ROCK1 Q13464 3/20 0.33
PRKACG P22612 2/20 0.33
PRKACB P22694 2/20 0.33
CYP2C9 P11712 2/20 0.33
SYK P43405 1/20 0.33
S1PR3 Q99500 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RPS6KA5 O75582 1/20 0.31
MAP4K4 O95819 1/20 0.31
PRKCG P05129 1/20 0.31
CDK1 P06493 1/20 0.31

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
SCHEMBL2851286 0.92 F7 (0.35) RPS6KB1AURKASYKS1PR3ALDH1A1
SCHEMBL2853033 0.91 RPS6KB1 (0.37) RPS6KB1AURKAPOLBROCK2PRKG1
SCHEMBL2853694 0.86 F7 (0.38) RPS6KB1AURKAPOLBROCK2ROCK1
SCHEMBL2851285 0.83 F7 (0.36) RPS6KB1AURKASYKS1PR3ALDH1A1
SCHEMBL4612332 0.81 F7 (0.45)
SCHEMBL2914505 0.80 F7 (0.42) ROCK2ROCK1
SCHEMBL2853690 0.79 F7 (0.38) RPS6KB1AURKAPOLBROCK2ROCK1
SCHEMBL2854787 0.79 F7 (0.39)
SCHEMBL2846747 0.77 F7 (0.43)
SCHEMBL2850775 0.77 DHODH (0.35) RPS6KB1AURKAS1PR3ALDH1A1TDP1

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 RPS6KB1 966/4885AURKA 2270/4885POLB 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.