SCHEMBL5269196

SCHEMBL5269196

CC(C)c1ccc(CNC(C)c2c(Cl)cc(Cl)cc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
IDO1 P14902 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CASR P41180 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 3/20 0.40
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.36
KCNH2 Q12809 2/20 0.36
TMEM97 Q5BJF2 2/20 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
SCHEMBL5270184 0.87 SMN1; SMN2 (0.53) RAB9AMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL5267221 0.87 SMN1; SMN2 (0.45) RAB9AMEN1KMT2ASMN1; SMN2IDO1
SCHEMBL5270321 0.83 LMNA (0.45) RAB9AMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL5270108 0.83 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2CASRCYP1A2
SCHEMBL5273132 0.83 CASR (0.57) MEN1KMT2AL3MBTL1CASRTDP1
SCHEMBL5271711 0.80 SMN1; SMN2 (0.44) RAB9AMEN1KMT2ASMN1; SMN2IDO1
SCHEMBL5268973 0.79 CASR (0.47) MEN1KMT2ASMN1; SMN2CASRCYP1A2
SCHEMBL5266928 0.77 MEN1 (0.55) MEN1KMT2ASMN1; SMN2TDP1ALDH1A1
SCHEMBL5270789 0.75 POLB (0.51) RAB9AMEN1KMT2ASMN1; SMN2IDO1
SCHEMBL5274512 0.74 SMN1; SMN2 (0.40) RAB9AMEN1KMT2ASMN1; SMN2IDO1

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 RAB9A 486/4885MEN1 498/4885KMT2A 2648/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 RAB9A 523/4885MEN1 467/4885KMT2A 1610/4885

“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.