SCHEMBL5268907

SCHEMBL5268907

COc1ccc(CNC(C)c2ccc(F)cc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.53
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ATM Q13315 2/20 0.47
POLB P06746 3/20 0.46
MAPK1 P28482 2/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
GPR35 Q9HC97 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
XBP1 P17861 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAP2K4 P45985 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7038204 0.88 KMT2A (0.50) CASRMEN1KMT2APOLBLMNA
SCHEMBL5270710 0.85 LTA4H (0.48) CASRMEN1KMT2APOLBHTT
SCHEMBL25759871 0.85 CASR (0.52) CASRMEN1KMT2AATMPOLB
SCHEMBL5267104 0.84 SMN1; SMN2 (0.49) MEN1KMT2APOLBLMNAHTT
SCHEMBL5269290 0.84 KMT2A (0.51) CASRMEN1KMT2AATMPOLB
SCHEMBL5270038 0.83 KMT2A (0.47) CASRMEN1KMT2APOLBHTT
SCHEMBL5268290 0.81 PPARG (0.47) CASRPOLBMAPK1LMNACNR1
SCHEMBL5268086 0.77 L3MBTL1 (0.50) MEN1KMT2AATMPOLBLMNA
SCHEMBL5268596 0.76 CASR (0.55) CASRMEN1KMT2ALMNAL3MBTL1
SCHEMBL5272819 0.76 CASR (0.51) CASRMEN1KMT2ALMNAL3MBTL1

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.