SCHEMBL5843448

SCHEMBL5843448

COc1ccc2c(c1)C(=O)N(CC1OCCc3c1sc(NC1CCCCO1)c3C(=O)O)C2=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPRB P23467 1/20 0.35
POLB P06746 2/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL7155796 0.88 PTPN2 (0.43) ALDH1A1GAAKDM4EPTPN2PTPN1
SCHEMBL5837083 0.86 PTPN1 (0.49) ALDH1A1NPC1RAB9AGAAKDM4E
SCHEMBL7563366 0.82 ALDH1A1 (0.42) ALDH1A1NPC1RAB9AGAAKDM4E
SCHEMBL7538674 0.82 CA9 (0.45) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL7565443 0.81 PTPN2 (0.38) ALDH1A1GAAKDM4EPTPN2PTPN1
SCHEMBL7562697 0.78 ALDH1A1 (0.36) ALDH1A1
SCHEMBL7539939 0.78 GAA (0.41) ALDH1A1NPC1RAB9AGAAKDM4E
SCHEMBL7536578 0.75 PTPN1 (0.38) PTPN2PTPN1PTPRB
SCHEMBL7534087 0.73 MEN1 (0.38) ALDH1A1NPC1KDM4EPTPN2PTPN1
SCHEMBL6394168 0.73 PTPN1 (0.36) PTPN2PTPN1PTPRB

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 3 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
EP-1214060-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001017516-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2001-03-15 WO disclosed