SCHEMBL5269356

SCHEMBL5269356

Cc1ccc(CNC(C)c2ccc(Cl)c(Cl)c2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.40
ADRB2 P07550 1/20 0.39
VDR P11473 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
P2RX7 Q99572 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNH2 Q12809 2/20 0.35
TMEM97 Q5BJF2 2/20 0.35
CHRM2 P08172 1/20 0.34
MAPT P10636 1/20 0.34
BRD4 O60885 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5274512 0.88 SMN1; SMN2 (0.40) SMN1; SMN2POLBADRB2MEN1KMT2A
SCHEMBL5269340 0.86 SMN1; SMN2 (0.53) SMN1; SMN2POLBADRB2VDRMEN1
SCHEMBL7728348 0.85 SMN1; SMN2 (0.38) SMN1; SMN2POLBVDRMEN1KMT2A
SCHEMBL5269497 0.84 POLB (0.47) SMN1; SMN2POLBADRB2MEN1KMT2A
SCHEMBL5272819 0.84 CASR (0.51) SMN1; SMN2MEN1KMT2AP2RX7NPC1
SCHEMBL5274220 0.80 POLB (0.43) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL5268041 0.80 SMN1; SMN2 (0.49) SMN1; SMN2POLBVDRMEN1KMT2A
SCHEMBL5270428 0.80 SMN1; SMN2 (0.49) SMN1; SMN2POLBADRB2VDRMEN1
SCHEMBL5268202 0.80 TAAR1 (0.38) POLBNPC1RAB9AALDH1A1KCNH2
SCHEMBL5270694 0.79 SMN1; SMN2 (0.59) SMN1; SMN2POLBADRB2VDRMEN1

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 2783/4885ADRB2 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 913/4885POLB 3732/4885ADRB2 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.