SCHEMBL5724446

SCHEMBL5724446

CC(=O)NCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.63
▸ ROCK1 Q13464 3/20 0.59
▸ ROCK2 O75116 3/20 0.59
▸ AKR1C3 P42330 1/20 0.53
▸ GLS O94925 1/20 0.53
▸ KDM5A P29375 1/20 0.52
▸ KDM4C Q9H3R0 1/20 0.52
▸ KDM5B Q9UGL1 1/20 0.52
▸ NAMPT P43490 2/20 0.51
▸ PPARG P37231 1/20 0.51
▸ PPARD Q03181 1/20 0.51
▸ PPARA Q07869 1/20 0.51
▸ KCNB1 Q14721 1/20 0.51
▸ MMP13 P45452 1/20 0.51
▸ CNR1 P21554 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ CACNA1G O43497 1/20 0.49
▸ CACNA1H O95180 1/20 0.49
▸ CACNA1I Q9P0X4 1/20 0.49
▸ CETP P11597 1/20 0.49

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
SCHEMBL934551 0.86 GLS (0.61) MAPK14ROCK1ROCK2GLSKDM5A
SCHEMBL13853494 0.86 MAPK14 (0.60) MAPK14ROCK1ROCK2AKR1C3GLS
SCHEMBL13647056 0.85 MAPK14 (0.63) MAPK14ROCK1ROCK2GLSKDM5A
SCHEMBL14684325 0.85 MAPK14 (0.59) MAPK14ROCK1ROCK2AKR1C3GLS
SCHEMBL23195276 0.84 MAPK14 (0.65) MAPK14ROCK1ROCK2AKR1C3GLS
SCHEMBL30152446 0.84 MAPK14 (0.65) MAPK14ROCK1ROCK2AKR1C3GLS
SCHEMBL18526150 0.83 MAPK14 (0.58) MAPK14ROCK1ROCK2AKR1C3GLS
SCHEMBL3638883 0.83 EPHX2 (0.58) MAPK14ROCK1ROCK2GLSKCNB1
SCHEMBL4575965 0.83 MAPK14 (0.60) MAPK14ROCK1ROCK2GLSKDM5A
SCHEMBL16477693 0.82 MAPK14 (0.57) MAPK14ROCK1ROCK2AKR1C3GLS

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-1633715-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS Pfizer Limited (GB) 2006-03-15 — — EP claimed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 — — WO claimed
US-11292801-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-04-05 — — 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-11292801-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN2, CAPN1 MAPK14 2583/4885ROCK1 1766/4885ROCK2 1615/4885

“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.

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