SCHEMBL5265860

SCHEMBL5265860

COc1ccc(CNC(C)C(O)c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
LMNA P02545 2/20 0.69
ALDH1A1 P00352 1/20 0.69
HTT P42858 1/20 0.69
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C19 P33261 1/20 0.68
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
POLB P06746 1/20 0.65
KDM4E B2RXH2 1/20 0.64
TDP1 Q9NUW8 1/20 0.57
CASR P41180 3/20 0.56
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
DRD1 P21728 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
ADRA1A P35348 1/20 0.51

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
SCHEMBL7637479 1.00 MAPK1 (0.69) MAPK1NPSR1LMNAALDH1A1HTT
Hydrochloric Acid SCHEMBL29673184 0.99 LMNA (0.72) MAPK1NPSR1LMNAALDH1A1HTT
SCHEMBL12154818 0.87 MEN1 (0.63) MAPK1NPSR1LMNAALDH1A1HTT
SCHEMBL14514475 0.87 MEN1 (0.63) MAPK1NPSR1LMNAALDH1A1HTT
SCHEMBL7785516 0.86 LMNA (0.79) MAPK1NPSR1LMNAALDH1A1HTT
SCHEMBL5270097 0.86 LMNA (0.79) MAPK1NPSR1LMNAALDH1A1HTT
SCHEMBL7637484 0.86 LMNA (0.79) MAPK1NPSR1LMNAALDH1A1HTT
SCHEMBL7636642 0.86 MEN1 (0.70) MAPK1NPSR1LMNAALDH1A1HTT
SCHEMBL7636637 0.86 MEN1 (0.70) MAPK1NPSR1LMNAALDH1A1HTT
SCHEMBL5270682 0.85 MEN1 (0.75) MAPK1NPSR1LMNAALDH1A1HTT

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 8 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-20020193347-A1 Using an optically active N-substituted chiral derivative of norephedrine as ligand for enantioselective reduction of unsaturated compounds carrying functional groups by a hydrogen transfer method PPG-SIPSY, A CORPORATION OF FRANCE (FR) 2002-12-19 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 MAPK1 489/4885NPSR1 3051/4885LMNA 1166/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 MAPK1 168/4885NPSR1 3075/4885LMNA 1926/4885

“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.