SCHEMBL5270673

SCHEMBL5270673

CCc1ccc(C(C)NCc2ccc(-c3ccccc3)cc2)c(CC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ADRB2 P07550 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PTGS2 P35354 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HDAC1 Q13547 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BCL2 P10415 1/20 0.38

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
SCHEMBL5266879 0.91 PTGS2 (0.47) POLBPTGS2MEN1KMT2ABCL2
SCHEMBL5267767 0.85 CASR (0.44) POLBALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL5273220 0.84 SMN1; SMN2 (0.49) POLBNPSR1ADRB2SMN1; SMN2HPGD
SCHEMBL5275047 0.83 IDO1 (0.40) POLBALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL5272903 0.81 CASR (0.53) POLBALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5268630 0.80 FFAR1 (0.50) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL5269403 0.77 L3MBTL1 (0.51) POLBALDH1A1LMNAMAPK1HTT
SCHEMBL5268305 0.77 ATM (0.48) POLBALDH1A1LMNAHTTMAPT
SCHEMBL5269453 0.76 ADRB2 (0.54) POLBALDH1A1LMNAMAPK1HTT
SCHEMBL5269609 0.76 KMT2A (0.51) POLBALDH1A1LMNAMAPK1HTT

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 2783/4885ALDH1A1 141/4885LMNA 1166/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 POLB 3732/4885ALDH1A1 73/4885LMNA 1926/4885

“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.