SCHEMBL16477693

SCHEMBL16477693

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.57
▸ CETP P11597 1/20 0.56
▸ ROCK1 Q13464 3/20 0.54
▸ ROCK2 O75116 3/20 0.54
▸ NAMPT P43490 3/20 0.50
▸ CACNA1G O43497 1/20 0.50
▸ CACNA1H O95180 1/20 0.50
▸ CACNA1I Q9P0X4 1/20 0.50
▸ PPARG P37231 1/20 0.49
▸ PPARD Q03181 1/20 0.49
▸ PPARA Q07869 1/20 0.49
▸ GLS O94925 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ KDM5A P29375 1/20 0.47
▸ KDM4C Q9H3R0 1/20 0.47
▸ KDM5B Q9UGL1 1/20 0.47
▸ KCNB1 Q14721 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ VNN1 O95497 1/20 0.47

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
SCHEMBL14684325 0.87 MAPK14 (0.59) MAPK14CETPROCK1ROCK2NAMPT
SCHEMBL13853494 0.85 MAPK14 (0.60) MAPK14CETPROCK1ROCK2NAMPT
SCHEMBL5724446 0.82 MAPK14 (0.63) MAPK14CETPROCK1ROCK2NAMPT
SCHEMBL13491775 0.82 CETP (0.83) MAPK14CETPROCK1ROCK2NAMPT
SCHEMBL30229536 0.81 MAPK14 (0.54) MAPK14CETPROCK1ROCK2NAMPT
SCHEMBL26051681 0.81 MAPK14 (0.53) MAPK14CETPROCK1ROCK2NAMPT
SCHEMBL18526150 0.81 MAPK14 (0.58) MAPK14ROCK1ROCK2NAMPTCACNA1G
SCHEMBL934551 0.80 GLS (0.61) MAPK14ROCK1ROCK2NAMPTPPARG
SCHEMBL26051494 0.80 MAPK14 (0.55) MAPK14CETPROCK1ROCK2NAMPT
SCHEMBL26051585 0.80 MAPK14 (0.55) MAPK14CETPROCK1ROCK2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216950-B2 Agonists of Src homology-2 containing protein tyrosine phosphatase-1 and treatment methods using the same NATIONAL TAIWAN UNIVERSITY (TW) 2015-12-22 — — US disclosed
US-9090617-B1 Agonists of Src homology-2 containing protein tyrosine phosphatase-1 and treatment methods using the same NATIONAL TAIWAN UNIVERSITY (TW) 2015-07-28 — — US disclosed
US-20150191467-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME RAND BIOSCIENCES (KR) 2015-07-09 — — US disclosed
US-20140200239-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME NATIONAL TAIWAN UNIVERSITY (TW) 2014-07-17 — — 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-20150191467-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME SRC, PTPRCAP, GRB2 MAPK14 845/4885CETP 3203/4885ROCK1 531/4885
US-20140200239-A1 AGONISTS OF SRC HOMOLOGY-2 CONTAINING PROTEIN TYROSINE PHOSPHATASE-1 AND TREATMENT METHODS USING THE SAME SRC, PTPRCAP, GRB2 MAPK14 845/4885CETP 3203/4885ROCK1 531/4885

“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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