SCHEMBL5268249

SCHEMBL5268249

CCc1ccc(C(C)NCc2cc(C)ccc2C)c(CC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.35
NR3C1 P04150 1/20 0.34
NR3C2 P08235 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4C Q9H3R0 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 2/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
TP53 P04637 1/20 0.33
ADRB2 P07550 1/20 0.33
SLC26A6 Q9BXS9 1/20 0.32

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
SCHEMBL5273220 0.86 SMN1; SMN2 (0.49) SMN1; SMN2POLBMEN1KMT2AHTR7
SCHEMBL5265734 0.82 RAPGEF4 (0.35) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5267478 0.81 ALDH1A1 (0.45) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5275047 0.76 IDO1 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL15919020 0.75 LMNA (0.38) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL7725659 0.75 SMN1; SMN2 (0.37) SMN1; SMN2POLBMEN1KMT2ANPSR1
SCHEMBL5266655 0.74 HTR7 (0.40) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL5268227 0.74 TP53 (0.41) RAB9AALDH1A1KDM4EPOLBMEN1
SCHEMBL5268202 0.74 TAAR1 (0.38) NPC1RAB9AALDH1A1KDM4EPOLB
SCHEMBL5270673 0.74 POLB (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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 NPC1 2463/4885RAB9A 486/4885ALDH1A1 141/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 NPC1 2583/4885RAB9A 523/4885ALDH1A1 73/4885

“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.