SCHEMBL5265598

SCHEMBL5265598

CC(NCc1cccc(-c2ccccc2)c1)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.52
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.44
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
LNPEP Q9UIQ6 1/20 0.41
HTR1A P08908 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
VDR P11473 2/20 0.41
AGXT P21549 1/20 0.41
AOC3 Q16853 2/20 0.40
CXCR4 P61073 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
PRMT6 Q96LA8 1/20 0.40

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
SCHEMBL5270228 0.92 CASR (0.50) CASRPOLBLMNAERAP2ERAP1
SCHEMBL5270678 0.88 CASR (0.46) CASRPOLBLMNAERAP2ERAP1
SCHEMBL5269101 0.88 CASR (0.46) CASRPOLBLMNAERAP2ERAP1
SCHEMBL5271330 0.87 CASR (0.53) CASRPOLBLMNAERAP2ERAP1
SCHEMBL5270951 0.87 POLB (0.54) CASRPOLBLMNASIGMAR1VDR
SCHEMBL5266047 0.85 CASR (0.46) CASRPOLBLMNAERAP2ERAP1
SCHEMBL5266251 0.83 CASR (0.49) CASRPOLBLMNAERAP2ERAP1
SCHEMBL5272097 0.82 CASR (0.49) CASRPOLB
SCHEMBL13077616 0.82 CASR (0.55) CASRPOLBLMNAERAP2ERAP1
SCHEMBL13077588 0.80 CASR (0.64) CASRLMNASIGMAR1

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 2902/4885POLB 2783/4885LMNA 1166/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 CASR 3465/4885POLB 3732/4885LMNA 1926/4885

“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.