SCHEMBL5266040

SCHEMBL5266040

COc1ccc(CNC(C)c2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 4/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 4/20 0.43
THRB P10828 1/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5268791 0.89 CASR (0.53) CASRMEN1KMT2ATDP1L3MBTL1
SCHEMBL25759871 0.88 CASR (0.52) CASRMEN1KMT2ATDP1L3MBTL1
SCHEMBL5273390 0.85 TDP1 (0.45) CASRMEN1KMT2ATDP1L3MBTL1
SCHEMBL5270428 0.84 SMN1; SMN2 (0.49) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL5271711 0.84 SMN1; SMN2 (0.44) CASRMEN1KMT2ATDP1L3MBTL1
SCHEMBL5270109 0.84 MEN1 (0.51) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL5269060 0.83 CASR (0.56) CASRMEN1KMT2ATDP1L3MBTL1
SCHEMBL5272819 0.82 CASR (0.51) CASRMEN1KMT2ATDP1L3MBTL1
SCHEMBL5273132 0.81 CASR (0.57) CASRMEN1KMT2ATDP1L3MBTL1
SCHEMBL5267525 0.81 POLB (0.46) CASRMEN1KMT2ATDP1ALDH1A1

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 2902/4885MEN1 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 CASR 3465/4885MEN1 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.