SCHEMBL5270306

SCHEMBL5270306

CCOc1ccccc1CNC(C)c1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.53
ATM Q13315 4/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
POLB P06746 1/20 0.51
SLC6A2 P23975 4/20 0.47
SLC6A4 P31645 4/20 0.47
SLC6A3 Q01959 3/20 0.47
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 4/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 2/20 0.43
BLM P54132 2/20 0.43
KDM4E B2RXH2 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
SCHEMBL5273434 0.90 L3MBTL1 (0.51) SLC2A1ATML3MBTL1POLBSLC6A2
SCHEMBL5265964 0.88 SLC6A2 (0.49) ATML3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL5265461 0.87 L3MBTL1 (0.53) SLC2A1ATML3MBTL1POLBSLC6A2
SCHEMBL5266903 0.87 L3MBTL1 (0.56) SLC2A1ATML3MBTL1POLBALDH1A1
SCHEMBL5272148 0.83 L3MBTL1 (0.52) SLC2A1ATML3MBTL1POLBALDH1A1
SCHEMBL5269709 0.81 L3MBTL1 (0.52) SLC2A1ATML3MBTL1POLBALDH1A1
SCHEMBL5270450 0.80 L3MBTL1 (0.55) SLC2A1ATML3MBTL1POLBALDH1A1
SCHEMBL5270843 0.78 SLC6A2 (0.49) ATML3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL5270743 0.78 L3MBTL1 (0.52) ATML3MBTL1POLBSLC6A2SLC6A4
SCHEMBL5265401 0.78 L3MBTL1 (0.52) ATML3MBTL1POLBALDH1A1KMT2A

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 SLC2A1 3211/4885ATM 4581/4885L3MBTL1 4870/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 SLC2A1 2983/4885ATM 4732/4885L3MBTL1 4844/4885

“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.