SCHEMBL5269709

SCHEMBL5269709

CCOc1ccccc1CNC(C)c1cccc(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.52
ATM Q13315 2/20 0.52
POLB P06746 1/20 0.52
P2RX7 Q99572 4/20 0.51
ALDH1A1 P00352 4/20 0.46
CASR P41180 1/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
BLM P54132 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
PLEC Q15149 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
SLC2A1 P11166 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
SCHEMBL5266903 0.91 L3MBTL1 (0.56) L3MBTL1ATMPOLBP2RX7ALDH1A1
SCHEMBL5272148 0.90 L3MBTL1 (0.52) L3MBTL1ATMPOLBP2RX7ALDH1A1
SCHEMBL5266302 0.88 CASR (0.51) L3MBTL1ATMPOLBP2RX7ALDH1A1
SCHEMBL5270450 0.86 L3MBTL1 (0.55) L3MBTL1ATMPOLBP2RX7ALDH1A1
SCHEMBL7194585 0.85 CASR (0.48) L3MBTL1ATMPOLBP2RX7ALDH1A1
SCHEMBL5270306 0.81 SLC2A1 (0.53) L3MBTL1ATMPOLBP2RX7ALDH1A1
SCHEMBL5273434 0.81 L3MBTL1 (0.51) L3MBTL1ATMPOLBP2RX7ALDH1A1
SCHEMBL5265461 0.80 L3MBTL1 (0.53) L3MBTL1ATMPOLBP2RX7ALDH1A1
SCHEMBL5268055 0.78 ATM (0.54) L3MBTL1ATMPOLBALDH1A1CASR
SCHEMBL5266579 0.77 L3MBTL1 (0.50) L3MBTL1ATMPOLBP2RX7ALDH1A1

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 L3MBTL1 4870/4885ATM 4581/4885POLB 2783/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 L3MBTL1 4844/4885ATM 4732/4885POLB 3732/4885

“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.