SCHEMBL5269060

SCHEMBL5269060

COc1ccc(CNC(C)c2ccccc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.56
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 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
SCHEMBL5273084 0.89 CASR (0.57) CASRTDP1MEN1KMT2APOLB
SCHEMBL5273696 0.87 POLB (0.50) CASRTDP1MEN1KMT2APOLB
SCHEMBL5267036 0.84 CASR (0.61) CASRTDP1MEN1KMT2AL3MBTL1
SCHEMBL5270290 0.83 BCHE (0.59) MEN1KMT2APOLB
SCHEMBL5270694 0.83 SMN1; SMN2 (0.59) MEN1KMT2APOLBSMN1; SMN2HTT
SCHEMBL5270789 0.83 POLB (0.51) CASRTDP1MEN1KMT2APOLB
SCHEMBL5268791 0.83 CASR (0.53) CASRTDP1MEN1KMT2AL3MBTL1
SCHEMBL5266040 0.83 CASR (0.53) CASRTDP1MEN1KMT2AL3MBTL1
SCHEMBL5270951 0.82 POLB (0.54) CASRPOLBALDH1A1SMN1; SMN2HTT
SCHEMBL5268793 0.82 ATM (0.55) CASRTDP1MEN1KMT2APOLB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161863-B2 Chiral catalyst and method for asymmetric reduction of an imine DALHOUSIE UNIVERSITY (CA) 2021-11-02 US disclosed
US-20200255463-A1 CHIRAL CATALYST AND METHOD FOR ASYMMETRIC REDUCTION OF AN IMINE DALHOUSIE UNIVERSITY (CA) 2020-08-13 US disclosed
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 (4 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-20200255463-A1 CHIRAL CATALYST AND METHOD FOR ASYMMETRIC REDUCTION OF AN IMINE C1R, C5, C1S CASR 4756/4885TDP1 3840/4885MEN1 264/4885
US-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, CYP8B1, CYP11B2 CASR 2902/4885TDP1 4169/4885MEN1 498/4885
US-11161863-B2 Chiral catalyst and method for asymmetric reduction of an imine C1R, C5, C1S CASR 4756/4885TDP1 3840/4885MEN1 264/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 CASR 3465/4885TDP1 4274/4885MEN1 467/4885

“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.