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SCHEMBL5837637

SCHEMBL5837637

COc1ccc(CN2CCc3c(sc(NC(=O)C(=O)O)c3C(=O)O)C2CNC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(Br)cc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ GLA P06280 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ RXFP1 Q9HBX9 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ TP53 P04637 3/20 0.44
▸ PPARG P37231 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ NR2E3 Q9Y5X4 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ POLB P06746 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ NCOA2 Q15596 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ GAA P10253 2/20 0.39

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
SCHEMBL7542531 0.88 KDM4E (0.51) KDM4EALDH1A1GLAPKMSMN1; SMN2
SCHEMBL7515843 0.86 KDM4E (0.45) KDM4EALDH1A1GLAPKMSMN1; SMN2
SCHEMBL5837651 0.80 DRD4 (0.46) ALDH1A1MAPTHPGDPTPN1
SCHEMBL5837796 0.79 PTPN1 (0.46) ALDH1A1PKMSMN1; SMN2POLBKMT2A
SCHEMBL5838423 0.77 MEN1 (0.44) SMN1; SMN2TP53NPSR1KMT2APTPN1
SCHEMBL5837772 0.76 PTPN1 (0.47) SMN1; SMN2MAPTKMT2AHSD17B10PTPN1
SCHEMBL5837940 0.76 PTPN1 (0.54) KDM4EALDH1A1MAPTKMT2AHDAC1
SCHEMBL5837592 0.75 PTPN1 (0.50) KDM4EMAPTKMT2APTPN1
SCHEMBL5837558 0.75 PTPN1 (0.42) KDM4EALDH1A1KMT2AHDAC1PTPN1
SCHEMBL7703247 0.74 KDM4E (0.49) KDM4EALDH1A1GLAPKMSMN1; SMN2

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 11 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 claimed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 — — US claimed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 — — EP claimed
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 claimed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 — — WO claimed
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 claimed
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-1214324-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2006-06-14 — — EP disclosed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 — — US disclosed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 — — EP disclosed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 — — WO disclosed