SCHEMBL851496

SCHEMBL851496

CC(C)(C)OC(=O)NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.59
AKT1 P31749 6/20 0.59
AKT2 P31751 5/20 0.59
PRKACA P17612 2/20 0.59
AKT3 Q9Y243 2/20 0.59
PRKCD Q05655 2/20 0.59
RPS6KA5 O75582 1/20 0.59
RPS6KA4 O75676 1/20 0.59
LATS1 O95835 1/20 0.59
PRKACB P22694 1/20 0.59
RPS6KB1 P23443 1/20 0.59
GRK2 P25098 1/20 0.59
RPS6KA3 P51812 1/20 0.59
ROCK1 Q13464 1/20 0.59
RPS6KA2 Q15349 1/20 0.59
RPS6KA1 Q15418 1/20 0.59
PKN1 Q16512 1/20 0.59
PKN2 Q16513 1/20 0.59
SGK3 Q96BR1 1/20 0.59
RPS6KB2 Q9UBS0 1/20 0.59

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
SCHEMBL1979179 0.81 AKT1 (0.70) ROCK2AKT1AKT2PRKACAAKT3
SCHEMBL851695 0.79 NPSR1 (0.49) NPSR1
SCHEMBL1981373 0.78 ROCK2 (0.56) ROCK2AKT1AKT2PRKACAAKT3
SCHEMBL3027228 0.78 AKT1 (0.64) ROCK2AKT1AKT2PRKACAAKT3
SCHEMBL13327376 0.77 AKT1 (0.64) ROCK2AKT1AKT2PRKACAAKT3
SCHEMBL880118 0.76 AKT1 (0.62) ROCK2AKT1AKT2PRKACAAKT3
SCHEMBL13183785 0.76 ROCK2 (0.53) ROCK2AKT1AKT2PRKACAAKT3
SCHEMBL28785630 0.76 AKT1 (0.68) ROCK2AKT1AKT2PRKACAAKT3
SCHEMBL3019370 0.76 AKT1 (0.72) ROCK2AKT1AKT2PRKACAAKT3
SCHEMBL3028412 0.75 AKT1 (0.80) ROCK2AKT1AKT2PRKACAAKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134339-B1 COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES ASTEX THERAPEUTICS LTD (GB) 2014-09-17 EP disclosed
EP-2134339-B1 COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES ASTEX THERAPEUTICS LTD (GB) 2014-09-17 EP disclosed
US-8497294-B2 Compositions comprising (S)-2-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)-phenyl]-ethanol as modulator of protein kinases ASTEX THERAPEUTICS LIMITED (GB) 2013-07-30 US disclosed
US-8497294-B2 Compositions comprising (S)-2-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)-phenyl]-ethanol as modulator of protein kinases ASTEX THERAPEUTICS LIMITED (GB) 2013-07-30 US disclosed
US-8497294-B2 Compositions comprising (S)-2-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)-phenyl]-ethanol as modulator of protein kinases ASTEX THERAPEUTICS LIMITED (GB) 2013-07-30 US disclosed
EP-2433632-A1 Compositions and combinations comprising non-racemic 2-amino-1-(4-chloro-phenyl)-1-[4-(1H-pyrazol-4-yl)-phenyl]-ethanol, for use in medicine Astex Therapeutics Limited (GB) 2012-03-28 EP disclosed
US-20110269808-A1 COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES ASTEX THERAPEUTICS LIMITED (GB) 2011-11-03 US disclosed
US-20110269808-A1 COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES ASTEX THERAPEUTICS LIMITED (GB) 2011-11-03 US disclosed
US-20100113551-A1 COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-05-06 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 (2 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-20100113551-A1 COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES MAP4K2, PRKCH, DSTYK ROCK2 672/4885AKT1 180/4885AKT2 302/4885
US-20110269808-A1 COMPOSITIONS COMPRISING (S)-2-AMINO-1-(4-CHLOROPHENYL)-1-[4-(1H-PYRAZOL-4-YL)-PHENYL]-ETHANOL AS MODULATOR OF PROTEIN KINASES MAP4K2, MAP4K1, PRKCH ROCK2 703/4885AKT1 214/4885AKT2 356/4885

“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.