SCHEMBL5268961

SCHEMBL5268961

CC(NCc1ccc(-c2ccccc2)cc1)c1ccc(Br)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
ADRB2 P07550 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
CNR1 P21554 1/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 1/20 0.39
HDAC1 Q13547 1/20 0.38
CASR P41180 1/20 0.38
CCR5 P51681 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5270750 0.89 CASR (0.45) POLBALDH1A1LMNASIGMAR1KMT2A
SCHEMBL5266929 0.85 CASR (0.44) POLBALDH1A1MAPK1NPSR1LMNA
SCHEMBL5274530 0.84 SMN1; SMN2 (0.49) POLBALDH1A1LMNAADRB2SMN1; SMN2
SCHEMBL5273736 0.83 RAB9A (0.46) POLBNPSR1LMNAADRB2SMN1; SMN2
SCHEMBL5267686 0.81 LMNA (0.45) POLBALDH1A1MAPK1NPSR1LMNA
SCHEMBL5270049 0.81 CASR (0.53) ALDH1A1LMNAADRB2KMT2ACASR
SCHEMBL5267977 0.78 ALDH1A1 (0.45) POLBALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL5269453 0.76 ADRB2 (0.54) POLBALDH1A1MAPK1NPSR1LMNA
SCHEMBL5270253 0.76 KMT2A (0.51) POLBALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL5266871 0.75 POLB (0.46) POLBALDH1A1MAPK1NPSR1LMNA

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 141/4885MAPK1 489/4885
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 73/4885MAPK1 168/4885

“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.