SCHEMBL5266896

SCHEMBL5266896

Cc1cc(C)c(CNC(C)c2ccc(Cl)c(Cl)c2Cl)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 7/20 0.34
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.30
RAB9A P51151 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL5267737 0.87 CYP1A2 (0.42) RAPGEF4LMNAALDH1A1
SCHEMBL5274435 0.82 RAPGEF4 (0.42) RAPGEF4LMNAALDH1A1RAB9AHTT
SCHEMBL5273175 0.82 RAB9A (0.44) RAPGEF4LMNARAB9AHTT
SCHEMBL5269254 0.81 ADRB2 (0.42) RAPGEF4LMNAHTTSMN1; SMN2
SCHEMBL5268202 0.80 TAAR1 (0.38) ALDH1A1RAB9AKDM4E
SCHEMBL5269274 0.80 ALDH1A1 (0.40) RAPGEF4LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL5269356 0.79 SMN1; SMN2 (0.50) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5266312 0.77 HDAC6 (0.37) RAPGEF4
SCHEMBL5267954 0.76 RAPGEF4 (0.40) RAPGEF4LMNAALDH1A1RAB9AHTT
SCHEMBL5268000 0.75 RAPGEF4 (0.46) RAPGEF4ALDH1A1

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 RAPGEF4 1419/4885LMNA 1166/4885ALDH1A1 141/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 RAPGEF4 1365/4885LMNA 1926/4885ALDH1A1 73/4885

“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.