SCHEMBL5269330

SCHEMBL5269330

Cc1ccc(C(C)NCc2ccc(Oc3ccccc3)cc2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MAPK14 Q16539 1/20 0.46
ADRB2 P07550 1/20 0.45
CASR P41180 2/20 0.45
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IDH1 O75874 1/20 0.39
EPHX2 P34913 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC2A1 P11166 1/20 0.38
BCHE P06276 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL5268698 0.90 ALDH1A1 (0.46) SMN1; SMN2CASRPOLBKDM4EALDH1A1
SCHEMBL5269453 0.85 ADRB2 (0.54) SMN1; SMN2ADRB2POLBALDH1A1HTT
SCHEMBL5268596 0.85 CASR (0.55) SMN1; SMN2ADRB2CASRALDH1A1MEN1
SCHEMBL5267270 0.84 SMN1; SMN2 (0.54) SMN1; SMN2ADRB2CASRPOLBKDM4E
SCHEMBL5266343 0.79 SMN1; SMN2 (0.49) SMN1; SMN2ADRB2CASRPOLBKDM4E
SCHEMBL5267767 0.78 CASR (0.44) SMN1; SMN2MAPK14CASRPOLBKDM4E
SCHEMBL5273215 0.78 CASR (0.44) SMN1; SMN2MAPK14ADRB2CASRPOLB
SCHEMBL5270710 0.78 LTA4H (0.48) SMN1; SMN2CASRPOLBKDM4EALDH1A1
SCHEMBL5271170 0.78 TDP1 (0.45) SMN1; SMN2CASRPOLBKDM4EALDH1A1
SCHEMBL5266929 0.78 CASR (0.44) SMN1; SMN2CASRPOLBKDM4EALDH1A1

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 SMN1; SMN2 875/4885MAPK14 652/4885ADRB2 309/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 SMN1; SMN2 913/4885MAPK14 642/4885ADRB2 312/4885

“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.