SCHEMBL5267954

SCHEMBL5267954

Cc1cc(C)c(CNC(C)c2c(Cl)cccc2Cl)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 4/20 0.40
CASR P41180 2/20 0.38
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 3/20 0.32
ALOX12 P18054 1/20 0.32
EPHX2 P34913 1/20 0.32
PTGS2 P35354 1/20 0.32
RAB9A P51151 1/20 0.31
MAPK1 P28482 2/20 0.31
MAPK3 P27361 1/20 0.31

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
SCHEMBL5268000 0.87 RAPGEF4 (0.46) RAPGEF4ALDH1A1EPHX2
SCHEMBL5267737 0.84 CYP1A2 (0.42) RAPGEF4CASRALDH1A1POLBLMNA
SCHEMBL5269254 0.83 ADRB2 (0.42) RAPGEF4CASRMEN1KMT2AHTT
SCHEMBL5268491 0.79 CASR (0.42) CASRSMN1; SMN2ALDH1A1LMNAALOX12
SCHEMBL5270845 0.78 SMN1; SMN2 (0.57) CASRMEN1KMT2ASMN1; SMN2POLB
SCHEMBL5274435 0.76 RAPGEF4 (0.42) RAPGEF4MEN1KMT2AHTTNPSR1
SCHEMBL5273175 0.76 RAB9A (0.44) RAPGEF4MEN1KMT2AHTTPOLB
SCHEMBL5266896 0.76 RAPGEF4 (0.34) RAPGEF4HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL23754497 0.76 SMN1; SMN2 (0.58) CASRMEN1KMT2AHTTNPSR1
SCHEMBL23754619 0.76 SMN1; SMN2 (0.58) CASRMEN1KMT2AHTTNPSR1

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 RAPGEF4 1419/4885CASR 2902/4885MEN1 498/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 RAPGEF4 1365/4885CASR 3465/4885MEN1 467/4885

“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.