SCHEMBL5266655

SCHEMBL5266655

Cc1ccc(C)c(CNC(C)c2ccc(Br)cc2Br)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 3/20 0.37
TAAR1 Q96RJ0 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
CCR5 P51681 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HIF1A Q16665 1/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL5267478 0.82 ALDH1A1 (0.45) LMNAALDH1A1KDM4ETAAR1RAB9A
SCHEMBL5274530 0.81 SMN1; SMN2 (0.49) HTR7HTR6LMNAALDH1A1MEN1
SCHEMBL5273020 0.80 RAPGEF4 (0.35) HTR7HTR6LMNAALDH1A1KDM4E
SCHEMBL5273044 0.75 POLB (0.41) ALDH1A1KDM4ETAAR1RAB9ANPC1
SCHEMBL5268202 0.75 TAAR1 (0.38) ALDH1A1KDM4ETAAR1RAB9ANPC1
SCHEMBL5268227 0.75 TP53 (0.41) LMNAALDH1A1KDM4ERAB9AMEN1
SCHEMBL5270099 0.75 ALDH1A1 (0.37) ALDH1A1KDM4ETAAR1RAB9ANPC1
SCHEMBL11019876 0.74 TAAR1 (0.40) ALDH1A1TAAR1POLBTDP1
SCHEMBL5268249 0.74 NPC1 (0.36) HTR7HTR6ALDH1A1KDM4ETAAR1
SCHEMBL5272934 0.73 CASR (0.41) HTR6LMNAALDH1A1KDM4ETAAR1

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 HTR7 56/4885HTR6 902/4885LMNA 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 HTR7 230/4885HTR6 1236/4885LMNA 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.