SCHEMBL5266879

SCHEMBL5266879

CCc1ccc(C(C)NCc2cccc(-c3ccccc3)c2)c(CC)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.47
BCL2 P10415 1/20 0.45
CASR P41180 7/20 0.44
POLB P06746 1/20 0.43
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
LNPEP Q9UIQ6 1/20 0.41
MME P08473 1/20 0.41
AOC3 Q16853 2/20 0.40
AGXT P21549 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGES O14684 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL5270673 0.91 POLB (0.46) PTGS2BCL2CASRPOLBMEN1
SCHEMBL5268630 0.84 FFAR1 (0.50) CASRMMEFFAR1FFAR4MEN1
SCHEMBL5267767 0.80 CASR (0.44) CASRPOLBFFAR1MEN1KMT2A
SCHEMBL5273220 0.78 SMN1; SMN2 (0.49) CASRPOLBMEN1KMT2A
SCHEMBL5275047 0.77 IDO1 (0.40) CASRPOLBMEN1KMT2A
SCHEMBL5270667 0.76 CASR (0.46) CASRPOLBERAP2ERAP1LNPEP
SCHEMBL13077588 0.76 CASR (0.64) CASRMEN1KMT2A
SCHEMBL5265598 0.76 CASR (0.52) CASRPOLBERAP2ERAP1LNPEP
SCHEMBL5266047 0.75 CASR (0.46) CASRPOLBERAP2ERAP1LNPEP
SCHEMBL5269101 0.75 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 PTGS2 692/4885BCL2 4839/4885CASR 2902/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 PTGS2 1241/4885BCL2 4820/4885CASR 3465/4885

“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.