SCHEMBL5269644

SCHEMBL5269644

COc1ccc(F)cc1C(C)NCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
BCHE P06276 6/20 0.51
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
SCN9A Q15858 1/20 0.49
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
PPARA Q07869 1/20 0.45

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
SCHEMBL5273051 0.90 BCHE (0.53) KMT2ABCHEMAOBMEN1TDP1
SCHEMBL5269022 0.90 BCHE (0.59) KMT2ABCHEMEN1TDP1
SCHEMBL5318271 0.82 BCHE (0.59) KMT2ABCHEMAOBMAOASCN9A
SCHEMBL5270300 0.81 BCHE (0.57) KMT2ABCHEMEN1
SCHEMBL5268061 0.81 CASR (0.56) KMT2ABCHEMEN1TDP1PPARA
SCHEMBL5267016 0.80 BCHE (0.59) KMT2ABCHEMAOBMEN1TDP1
SCHEMBL5270290 0.80 BCHE (0.59) KMT2ABCHEMEN1
SCHEMBL5270611 0.80 BCHE (0.59) KMT2ABCHEMAOBMAOASCN9A
SCHEMBL5271408 0.79 MAOB (0.58) KMT2ABCHEMAOBMAOASCN9A
SCHEMBL5272842 0.76 CYP1A2 (0.45) KMT2AMAOBMEN1TDP1

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 KMT2A 2648/4885BCHE 1984/4885MAOB 376/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 KMT2A 1610/4885BCHE 2684/4885MAOB 263/4885

“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.