SCHEMBL5269340

SCHEMBL5269340

Cc1ccc(CNC(C)c2cccc(Cl)c2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
PNMT P11086 1/20 0.45
VDR P11473 4/20 0.44
ADRB2 P07550 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
P2RX7 Q99572 1/20 0.43
KMT2A Q03164 2/20 0.41
CASR P41180 1/20 0.38
PPARG P37231 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5269125 0.88 POLB (0.45) SMN1; SMN2POLBCYP1A2CYP3A4CYP2D6
SCHEMBL5270694 0.88 SMN1; SMN2 (0.59) SMN1; SMN2POLBCYP1A2CYP2D6VDR
SCHEMBL5269356 0.86 SMN1; SMN2 (0.50) SMN1; SMN2POLBVDRADRB2ALDH1A1
SCHEMBL7193740 0.85 P2RX7 (0.44) SMN1; SMN2CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL5269172 0.85 POLB (0.50) SMN1; SMN2POLBCYP1A2CYP3A4CYP2D6
SCHEMBL5273084 0.84 CASR (0.57) POLBCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL5270845 0.83 SMN1; SMN2 (0.57) SMN1; SMN2POLBCYP1A2CYP2D6VDR
SCHEMBL5267163 0.82 POLB (0.47) SMN1; SMN2POLBCYP1A2CYP3A4CYP2D6
SCHEMBL5270312 0.80 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL7728281 0.80 ALDH1A1 (0.48) CYP1A2CYP3A4CYP2D6NFKB1PNMT

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 875/4885POLB 2783/4885CYP1A2 116/4885
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 913/4885POLB 3732/4885CYP1A2 256/4885

“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.