SCHEMBL5266928

SCHEMBL5266928

COc1ccc(CNC(C)c2c(Cl)cc(Cl)cc2Cl)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 2/20 0.47
LMNA P02545 5/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TTR P02766 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
CA2 P00918 1/20 0.45
POLB P06746 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.43
STAT1 P42224 1/20 0.43

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
SCHEMBL5265972 0.90 KMT2A (0.53) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL5270154 0.85 MEN1 (0.51) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL5273132 0.82 CASR (0.57) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL5270109 0.82 MEN1 (0.51) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL5268793 0.81 ATM (0.55) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL5269592 0.80 MEN1 (0.51) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL5266007 0.79 KMT2A (0.50) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL7893820 0.78 KMT2A (0.67) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5270184 0.77 SMN1; SMN2 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL5269196 0.77 RAB9A (0.44) MEN1KMT2AALDH1A1SMN1; SMN2TDP1

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 MEN1 498/4885KMT2A 2648/4885ALDH1A1 141/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 MEN1 467/4885KMT2A 1610/4885ALDH1A1 73/4885

“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.