SCHEMBL5268968

SCHEMBL5268968

CC(NCc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.70
CYP1A2 P05177 2/20 0.65
CYP2D6 P10635 2/20 0.65
CYP2C19 P33261 2/20 0.65
TDP1 Q9NUW8 1/20 0.57
CASR P41180 3/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
POLB P06746 2/20 0.52
MAPK1 P28482 2/20 0.52
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 3/20 0.49
CYP3A4 P08684 2/20 0.49
LMNA P02545 2/20 0.49
APAF1 O14727 1/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49

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
SCHEMBL2168415 1.00 SMN1; SMN2 (0.70) SMN1; SMN2CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL7676191 0.93 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL14469578 0.91 SMN1; SMN2 (0.82) SMN1; SMN2CYP1A2CYP2D6CYP2C19CASR
SCHEMBL774613 0.87 SMN1; SMN2 (0.76) SMN1; SMN2CYP1A2CYP2D6CYP2C19CASR
SCHEMBL79765 0.87 SMN1; SMN2 (0.76) SMN1; SMN2CYP1A2CYP2D6CYP2C19CASR
SCHEMBL29560 0.87 SMN1; SMN2 (0.76) SMN1; SMN2CYP1A2CYP2D6CYP2C19CASR
Hydrochloric Acid SCHEMBL5493749 0.85 SMN1; SMN2 (0.79) SMN1; SMN2CYP1A2CYP2D6CYP2C19TDP1
Hydrochloric Acid SCHEMBL27830673 0.85 SMN1; SMN2 (0.79) SMN1; SMN2CYP1A2CYP2D6CYP2C19TDP1
Hydrochloric Acid SCHEMBL9635019 0.85 SMN1; SMN2 (0.79) SMN1; SMN2CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL27939948 0.85 SMN1; SMN2 (0.73) SMN1; SMN2CYP1A2CYP2D6CYP2C19CASR

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
WO-2025072151-A1 SELECTIVE PARTIAL REDUCTION OF ESTERS USING GROUP IV TRANSITION METAL CATALYSTS AND USES THEREOF BAYLOR UNIVERSITY (US) 2025-04-03 WO disclosed
CN-102177132-B Optically active vinylcyclopropanecarboxylic acid derivative and method for producing optically active vinylcyclopropaneamino acid derivative KANEGAFUCHI CHEMICAL IND 2014-06-25 CN 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 (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 SMN1; SMN2 875/4885CYP1A2 116/4885CYP2D6 967/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 SMN1; SMN2 913/4885CYP1A2 256/4885CYP2D6 1974/4885

“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.