SCHEMBL5268596

SCHEMBL5268596

COc1ccc(CNC(C)c2ccc(C)cc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.55
L3MBTL1 Q9Y468 4/20 0.49
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRB2 P07550 1/20 0.42

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
SCHEMBL5267270 0.88 SMN1; SMN2 (0.54) CASRALDH1A1SMN1; SMN2ADRB2
SCHEMBL5269330 0.85 SMN1; SMN2 (0.50) CASRL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL5268777 0.83 MEN1 (0.52) CASRALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5266343 0.82 SMN1; SMN2 (0.49) CASRL3MBTL1ALDH1A1NPC1LMNA
SCHEMBL5269453 0.80 ADRB2 (0.54) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL11495417 0.79 CASR (0.50) CASRL3MBTL1ALDH1A1NPC1LMNA
SCHEMBL11884336 0.78 SMN1; SMN2 (0.58) CASRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5268907 0.76 CASR (0.53) CASRL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL5270049 0.76 CASR (0.53) CASRL3MBTL1ALDH1A1NPC1LMNA
SCHEMBL5267654 0.76 CASR (0.53) CASRL3MBTL1ALDH1A1LMNASMN1; SMN2

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 CASR 2902/4885L3MBTL1 4870/4885ALDH1A1 141/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 CASR 3465/4885L3MBTL1 4844/4885ALDH1A1 73/4885

“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.