SCHEMBL4753159

SCHEMBL4753159

C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.68
CA1 P00915 4/20 0.68
GRN P28799 1/20 0.67
SORT1 Q99523 1/20 0.67
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
HPGD P15428 3/20 0.58
GPR139 Q6DWJ6 1/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
KDM4C Q9H3R0 1/20 0.50
S1PR3 Q99500 2/20 0.49
S1PR2 O95136 1/20 0.49

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
SCHEMBL4753157 1.00 CA2 (0.68) CA2CA1GRNSORT1MEN1
SCHEMBL8185308 1.00 CA2 (0.68) CA2CA1GRNSORT1MEN1
SCHEMBL4419910 0.84 GRN (0.63) GRNSORT1MEN1KMT2ACYP1A2
SCHEMBL15787063 0.84 CA2 (0.69) CA2CA1GRNSORT1MEN1
SCHEMBL11103451 0.82 CA2 (0.71) CA2CA1MEN1KMT2ANPC1
SCHEMBL11103438 0.82 CA2 (0.71) CA2CA1MEN1KMT2ANPC1
SCHEMBL13754407 0.81 GRN (0.60) CA2CA1GRNSORT1MEN1
SCHEMBL8338918 0.81 CA2 (0.61) CA2CA1MEN1KMT2AGPR139
SCHEMBL2172294 0.81 CA2 (0.61) CA2CA1MEN1KMT2AGPR139
SCHEMBL24283484 0.80 GRN (1.00) CA2CA1GRNSORT1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008149103-A1 METHODS OF ASSESSING AND TREATING MULTIPLE-ORGAN FAILURE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2008-12-11 WO claimed
EP-0909184-B1 TARGETED DRUG DELIVERY USING SULFONAMIDE DERIVATIVES UPJOHN CO (US) 2003-09-17 EP claimed
WO-2008149103-A1 METHODS OF ASSESSING AND TREATING MULTIPLE-ORGAN FAILURE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2008-12-11 WO disclosed
US-5958910-A Use of N-(4-aryl-thiazol-2-yl)-sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US disclosed
US-5877193-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-03-02 US disclosed
EP-0819681-A2 N-(4-Aryl-thiazol-2-yl)-sulfonamides and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-01-21 EP disclosed