SCHEMBL5268399

SCHEMBL5268399

Cc1ccc(C(C)NCc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.67
BCHE P06276 4/20 0.60
HTR7 P34969 1/20 0.56
HTR6 P50406 1/20 0.56
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 1/20 0.51
ACACB O00763 1/20 0.50
CASR P41180 1/20 0.49
AR P10275 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL5245493 0.92 BCHE (0.66) SMN1; SMN2BCHEMEN1POLBMAPK1
SCHEMBL4447839 0.92 BCHE (0.66) SMN1; SMN2BCHEMEN1POLBMAPK1
SCHEMBL5273201 0.90 BCHE (0.61) SMN1; SMN2BCHEMEN1POLBMAPK1
SCHEMBL5267369 0.89 BCHE (0.60) SMN1; SMN2BCHEMEN1POLBMAPK1
SCHEMBL5266725 0.88 BCHE (0.59) SMN1; SMN2BCHEHTR7HTR6MEN1
SCHEMBL5274105 0.88 MEN1 (0.67) SMN1; SMN2BCHEMEN1POLBMAPK1
SCHEMBL5270611 0.88 BCHE (0.59) SMN1; SMN2BCHEMEN1POLBMAPK1
SCHEMBL5267222 0.87 MEN1 (0.61) SMN1; SMN2BCHEHTR7HTR6MEN1
SCHEMBL7582829 0.85 SMN1; SMN2 (0.83) SMN1; SMN2HTR7HTR6MEN1POLB
SCHEMBL7520551 0.85 MEN1 (0.63) BCHEMEN1POLBMAPK1KMT2A

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 875/4885BCHE 1984/4885HTR7 56/4885
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 913/4885BCHE 2684/4885HTR7 230/4885

“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.