SCHEMBL5274134

SCHEMBL5274134

CC(NCc1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 1/20 0.60
MAPK1 P28482 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CASR P41180 2/20 0.57
BCHE P06276 3/20 0.55
GID4 Q8IVV7 1/20 0.50
RRM1 P23921 1/20 0.50
SLC2A1 P11166 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
SCHEMBL5274464 0.90 MEN1 (0.62) MEN1KMT2APOLBMAPK1NPSR1
SCHEMBL5245493 0.87 BCHE (0.66) MEN1KMT2APOLBMAPK1NPSR1
SCHEMBL4447839 0.87 BCHE (0.66) MEN1KMT2APOLBMAPK1NPSR1
SCHEMBL5274105 0.86 MEN1 (0.67) MEN1KMT2APOLBMAPK1NPSR1
SCHEMBL5271408 0.85 MAOB (0.58) MEN1KMT2APOLBMAPK1NPSR1
SCHEMBL5273201 0.83 BCHE (0.61) MEN1KMT2APOLBMAPK1NPSR1
SCHEMBL7520551 0.83 MEN1 (0.63) MEN1KMT2APOLBMAPK1NPSR1
SCHEMBL5268653 0.82 BCHE (0.57) MEN1KMT2APOLBMAPK1NPSR1
SCHEMBL5268255 0.82 MEN1 (0.56) MEN1KMT2APOLBMAPK1NPSR1
SCHEMBL5268262 0.82 MEN1 (0.56) MEN1KMT2APOLBMAPK1NPSR1

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 MEN1 498/4885KMT2A 2648/4885POLB 2783/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 MEN1 467/4885KMT2A 1610/4885POLB 3732/4885

“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.