SCHEMBL5273201

SCHEMBL5273201

CC(C)c1ccc(C(C)NCc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.61
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
ACACB O00763 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50
CASR P41180 1/20 0.50

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
SCHEMBL4447839 0.93 BCHE (0.66) BCHEMEN1KMT2APOLBMAPK1
SCHEMBL5245493 0.93 BCHE (0.66) BCHEMEN1KMT2APOLBMAPK1
SCHEMBL5274105 0.92 MEN1 (0.67) BCHEMEN1KMT2APOLBMAPK1
SCHEMBL5268399 0.90 SMN1; SMN2 (0.67) BCHEMEN1KMT2APOLBMAPK1
SCHEMBL5267369 0.90 BCHE (0.60) BCHEMEN1KMT2APOLBMAPK1
SCHEMBL5266725 0.89 BCHE (0.59) BCHEMEN1KMT2APOLBMAPK1
SCHEMBL5270611 0.89 BCHE (0.59) BCHEMEN1KMT2APOLBMAPK1
SCHEMBL7520551 0.89 MEN1 (0.63) BCHEMEN1KMT2APOLBMAPK1
SCHEMBL5268653 0.88 BCHE (0.57) BCHEMEN1KMT2APOLBMAPK1
SCHEMBL5270940 0.86 MEN1 (0.62) BCHEMEN1KMT2AMAPK1ACACB

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 6 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-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 (1 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 BCHE 1984/4885MEN1 498/4885KMT2A 2648/4885

“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.