SCHEMBL5267554

SCHEMBL5267554

CC(NCc1cccc(-c2ccccc2)c1)c1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.43
HTR1A P08908 1/20 0.42
PPARG P37231 1/20 0.41
AGXT P21549 2/20 0.40
SRC P12931 1/20 0.40
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
FFAR1 O14842 2/20 0.38
AOC3 Q16853 1/20 0.38

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
SCHEMBL5268290 0.89 PPARG (0.47) CASRALDH1A1POLBPPARGSRC
SCHEMBL5271402 0.84 KDM4E (0.45) CASRKDM4EALDH1A1POLBIDO1
SCHEMBL3931826 0.81 CASR (0.60) CASRKDM4EALDH1A1AGXT
SCHEMBL5265598 0.80 CASR (0.52) CASRPOLBHTR1AAGXTERAP2
SCHEMBL5266047 0.79 CASR (0.46) CASRPOLBHTR1AAGXTERAP2
SCHEMBL5272030 0.79 TACR1 (0.39) CASRALDH1A1PPARGIDO1TDO2
SCHEMBL5270710 0.78 LTA4H (0.48) CASRKDM4EALDH1A1POLBIDO1
SCHEMBL5270667 0.77 CASR (0.46) CASRALDH1A1POLBHTR1AERAP2
SCHEMBL13077588 0.77 CASR (0.64) CASRKDM4EALDH1A1SIGMAR1
SCHEMBL12686664 0.77 MRGPRX4 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074539-B1 Process for producing optically active 3,3,3,-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL CO (JP) 2007-10-17 EP disclosed
US-6894190-B2 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed
US-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2003-12-18 US disclosed
US-6653507-B2 Useful intermediate compound of pharmaceuticals for urinary incontinence SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-11-25 US disclosed
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2002-10-03 US disclosed
US-6403832-B1 MIXING ACID WITH AMINE, PRECIPITATING SALT, AND FILTERING; GOOD OPTICAL PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-11 US disclosed
EP-1074539-A2 Process for producing optically active 3,3,3,-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-07 EP 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-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, CYP8B1, CYP11B2 CASR 2902/4885KDM4E 3102/4885ALDH1A1 141/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 CASR 3465/4885KDM4E 2234/4885ALDH1A1 73/4885

“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.