SCHEMBL5266047

SCHEMBL5266047

CC(NCc1cccc(-c2ccccc2)c1)c1ccc(Cl)c(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.46
POLB P06746 1/20 0.43
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39
HTR1A P08908 1/20 0.39
LMNA P02545 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
AOC3 Q16853 2/20 0.38
AGXT P21549 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PTGES O14684 1/20 0.37
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
PRCP P42785 1/20 0.36

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 0.91 CASR (0.50) CASRPOLBERAP2ERAP1LNPEP
SCHEMBL5269497 0.88 POLB (0.47) CASRPOLBLMNASIGMAR1
SCHEMBL5265598 0.85 CASR (0.52) CASRPOLBERAP2ERAP1LNPEP
SCHEMBL5270678 0.84 CASR (0.46) CASRPOLBERAP2ERAP1LNPEP
SCHEMBL5269101 0.84 CASR (0.46) CASRPOLBERAP2ERAP1LNPEP
SCHEMBL5272173 0.84 CASR (0.45) CASRPOLBPTGES
SCHEMBL5271330 0.81 CASR (0.53) CASRPOLBERAP2ERAP1LNPEP
SCHEMBL5269172 0.80 POLB (0.50) CASRPOLBLMNASIGMAR1
SCHEMBL5266251 0.80 CASR (0.49) CASRPOLBERAP2ERAP1LNPEP
SCHEMBL5267554 0.79 CASR (0.46) CASRPOLBERAP2ERAP1LNPEP

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 2783/4885ERAP2 2367/4885
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 3732/4885ERAP2 2661/4885

“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.