SCHEMBL5273175

SCHEMBL5273175

Cc1cc(C)c(CNC(C)c2ccc(Cl)cc2Cl)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAPGEF4 Q8WZA2 3/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 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
SCHEMBL5274435 0.88 RAPGEF4 (0.42) RAB9ALMNATP53HTTMEN1
SCHEMBL6444286 0.88 LMNA (0.44) RAB9ALMNATP53HTTMEN1
SCHEMBL5269254 0.84 ADRB2 (0.42) LMNAHTTMEN1KMT2ARAPGEF4
SCHEMBL5266896 0.82 RAPGEF4 (0.34) RAB9ALMNAHTTRAPGEF4
SCHEMBL5268000 0.81 RAPGEF4 (0.46) RAPGEF4MAPT
SCHEMBL5268041 0.81 SMN1; SMN2 (0.49) RAB9ALMNATP53HTTMEN1
SCHEMBL5268227 0.80 TP53 (0.41) RAB9ALMNATP53HTTMEN1
SCHEMBL5269274 0.80 ALDH1A1 (0.40) LMNAKMT2ARAPGEF4POLB
SCHEMBL5267737 0.78 CYP1A2 (0.42) LMNARAPGEF4POLB
SCHEMBL13627131 0.76 LMNA (0.53) RAB9ALMNATP53HTTMEN1

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 6 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-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 RAB9A 486/4885LMNA 1166/4885TP53 4885/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 RAB9A 523/4885LMNA 1926/4885TP53 4885/4885

“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.