SCHEMBL5266312

SCHEMBL5266312

Cc1cc(C)c(CNC(C)c2ccc(F)cc2F)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.37
GPR139 Q6DWJ6 3/20 0.36
RAPGEF4 Q8WZA2 2/20 0.36
POLB P06746 1/20 0.34
ALK Q9UM73 3/20 0.33
MC4R P32245 1/20 0.33
P2RX3 P56373 1/20 0.33
SLC6A2 P23975 1/20 0.33
NTRK1 P04629 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PPARG P37231 1/20 0.31

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
SCHEMBL5267104 0.81 SMN1; SMN2 (0.49) HDAC6GPR139POLBALK
SCHEMBL5273044 0.80 POLB (0.41) HDAC6GPR139POLBALKMC4R
SCHEMBL5269274 0.80 ALDH1A1 (0.40) GPR139RAPGEF4POLBSLC6A2
SCHEMBL5266896 0.77 RAPGEF4 (0.34) RAPGEF4
SCHEMBL13267554 0.76 MC4R (0.41) HDAC6GPR139POLBALKMC4R
SCHEMBL5269254 0.75 ADRB2 (0.42) RAPGEF4POLB
SCHEMBL5273020 0.73 RAPGEF4 (0.35) RAPGEF4
SCHEMBL5270038 0.73 KMT2A (0.47) HDAC6POLB
SCHEMBL5274435 0.73 RAPGEF4 (0.42) GPR139RAPGEF4FFAR4
SCHEMBL5273175 0.73 RAB9A (0.44) RAPGEF4POLB

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 HDAC6 3271/4885GPR139 2758/4885RAPGEF4 1419/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 HDAC6 1655/4885GPR139 1886/4885RAPGEF4 1365/4885

“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.