SCHEMBL5837601

SCHEMBL5837601

COc1cccc2c1C(=O)N(CC1Cc3c(sc(N)c3C(=O)OC(C)(C)C)CO1)C2=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CTH P32929 1/20 0.33
GAA P10253 2/20 0.33
GRM6 O15303 1/20 0.33
CXCR2 P25025 1/20 0.33
ADORA1 P30542 1/20 0.33
HTR4 Q13639 1/20 0.32
HTR1A P08908 3/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL5838682 0.90 HPGD (0.33) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL5838365 0.90 CYP1A2 (0.40) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL5838657 0.87 ALDH1A1 (0.37) MEN1NPC1KMT2AALDH1A1MAPT
SCHEMBL5838384 0.84 ALDH1A1 (0.35) KMT2AALDH1A1GRM6ADORA1
SCHEMBL5838574 0.83 ALDH1A1 (0.41) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL6316462 0.83 ADORA1 (0.35) NPC1RAB9AALDH1A1GAAGRM6
SCHEMBL5837768 0.82 ALDH1A1 (0.45) MEN1KMT2AALDH1A1GAA
SCHEMBL5837777 0.81 ACHE (0.39) KMT2AALDH1A1
SCHEMBL5838142 0.81 ADORA1 (0.38) MEN1KMT2AALDH1A1GAAGRM6
SCHEMBL5837759 0.80 ADORA1 (0.36) MEN1KMT2AALDH1A1GAAGRM6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US disclosed
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP disclosed
EP-1214325-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019831-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed