SCHEMBL5318271

SCHEMBL5318271

CC(NCc1ccc(OCc2ccccc2)cc1)c1ccccc1F

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.59
SCN9A Q15858 2/20 0.51
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL5269546 0.87 MEN1 (0.57) BCHEPOLBMEN1KMT2AMAPK1
SCHEMBL5269022 0.84 BCHE (0.59) BCHEPOLBMEN1KMT2AMAPK1
SCHEMBL5270290 0.84 BCHE (0.59) BCHEPOLBMEN1KMT2AMAPK1
SCHEMBL5270300 0.83 BCHE (0.57) BCHEPOLBMEN1KMT2AMAPK1
SCHEMBL5269644 0.82 KMT2A (0.53) BCHESCN9AMEN1KMT2AMAOB
SCHEMBL4447839 0.82 BCHE (0.66) BCHEPOLBMEN1KMT2AMAPK1
SCHEMBL5245493 0.82 BCHE (0.66) BCHEPOLBMEN1KMT2AMAPK1
SCHEMBL5270611 0.82 BCHE (0.59) BCHESCN9APOLBMEN1KMT2A
SCHEMBL5268423 0.81 BCHE (0.55) BCHEPOLBMEN1KMT2AMAPK1
SCHEMBL2450970 0.80 BCHE (0.71) BCHEPOLBMEN1KMT2AMAPK1

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 BCHE 1984/4885SCN9A 196/4885POLB 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 BCHE 2684/4885SCN9A 120/4885POLB 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.