SCHEMBL5266302

SCHEMBL5266302

COc1ccccc1CNC(C)c1cccc(Cl)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.51
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
P2RX7 Q99572 3/20 0.47
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GRIN1 Q05586 3/20 0.41
GRIN2A Q12879 3/20 0.41
CHRM2 P08172 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
SCHEMBL5268055 0.90 ATM (0.54) CASRATML3MBTL1ALDH1A1GAA
SCHEMBL5266579 0.89 L3MBTL1 (0.50) CASRATML3MBTL1P2RX7ALDH1A1
SCHEMBL5269709 0.88 L3MBTL1 (0.52) CASRATML3MBTL1P2RX7ALDH1A1
SCHEMBL7194585 0.86 CASR (0.48) CASRATML3MBTL1P2RX7ALDH1A1
SCHEMBL5270712 0.85 CASR (0.54) CASRATML3MBTL1P2RX7ALDH1A1
SCHEMBL5265964 0.80 SLC6A2 (0.49) CASRATML3MBTL1ALDH1A1GAA
SCHEMBL5270843 0.80 SLC6A2 (0.49) CASRATML3MBTL1ALDH1A1GAA
SCHEMBL5266007 0.79 KMT2A (0.50) CASRATML3MBTL1ALDH1A1GAA
SCHEMBL5273002 0.78 LMNA (0.43) CASRALDH1A1LMNAPOLB
SCHEMBL5266903 0.78 L3MBTL1 (0.56) CASRATML3MBTL1P2RX7ALDH1A1

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 5 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-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 (1 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 2902/4885ATM 4581/4885L3MBTL1 4870/4885

“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.