SCHEMBL5270789

SCHEMBL5270789

CC(C)c1ccc(CNC(C)c2ccccc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
ADRB2 P07550 2/20 0.46
ADRB1 P08588 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
VDR P11473 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
IDO1 P14902 1/20 0.40
CASR P41180 4/20 0.39

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) POLBSMN1; SMN2ADRB2RAB9ANPC1
SCHEMBL5270694 0.87 SMN1; SMN2 (0.59) POLBSMN1; SMN2ADRB2ADRB1CYP1A2
SCHEMBL5270951 0.86 POLB (0.54) POLBSMN1; SMN2ADRB2ADRB1CYP1A2
SCHEMBL7194520 0.86 RAB9A (0.48) POLBSMN1; SMN2ADRB2ADRB1RAB9A
SCHEMBL5269060 0.83 CASR (0.56) POLBSMN1; SMN2L3MBTL1ALDH1A1TDP1
SCHEMBL5267221 0.82 SMN1; SMN2 (0.45) POLBSMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL5273696 0.82 POLB (0.50) POLBSMN1; SMN2ADRB2ADRB1L3MBTL1
SCHEMBL5270321 0.81 LMNA (0.45) POLBSMN1; SMN2RAB9ACYP1A2CYP2D6
SCHEMBL5271711 0.81 SMN1; SMN2 (0.44) POLBSMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL17031963 0.81 POLB (0.49) POLBSMN1; SMN2ADRB2ADRB1RAB9A

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 POLB 2783/4885SMN1; SMN2 875/4885ADRB2 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 POLB 3732/4885SMN1; SMN2 913/4885ADRB2 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.