SCHEMBL5269546

SCHEMBL5269546

CC(NCc1cccc(OCc2ccccc2)c1)c1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
BCHE P06276 8/20 0.55
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
BLM P54132 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CASR P41180 2/20 0.47
MAOB P27338 1/20 0.47
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
PTGES O14684 1/20 0.45

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
SCHEMBL5318271 0.87 BCHE (0.59) MEN1KMT2ABCHEMAOBMAPK1
SCHEMBL5270476 0.85 MEN1 (0.57) MEN1KMT2ABCHEALDH1A1KDM4E
SCHEMBL5267016 0.85 BCHE (0.59) MEN1KMT2ABCHEALDH1A1KDM4E
SCHEMBL5268254 0.84 MEN1 (0.56) MEN1KMT2ABCHEALDH1A1KDM4E
SCHEMBL15131138 0.84 MEN1 (0.56) MEN1KMT2ABCHEALDH1A1KDM4E
SCHEMBL5273051 0.84 BCHE (0.53) MEN1KMT2ABCHEALDH1A1KDM4E
SCHEMBL5267140 0.83 MEN1 (0.55) MEN1KMT2ABCHEALDH1A1KDM4E
SCHEMBL5267733 0.83 MEN1 (0.70) MEN1KMT2ABCHEALDH1A1KDM4E
SCHEMBL5267428 0.83 MEN1 (0.70) MEN1KMT2ABCHEALDH1A1KDM4E
SCHEMBL5268504 0.82 KMT2A (0.60) MEN1KMT2ABCHEALDH1A1KDM4E

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 2648/4885BCHE 1984/4885
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 1610/4885BCHE 2684/4885

“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.