SCHEMBL5837378

SCHEMBL5837378

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)OC(C)(C)C)CC(CN1C(=O)c3ccc(C(=O)O)cc3C1=O)OC2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
TSHR P16473 2/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 3/20 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
SCHEMBL5837768 0.86 ALDH1A1 (0.45) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL5838589 0.83 CXCR2 (0.37) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL5838538 0.83 CXCR2 (0.37) ALDH1A1TSHR
SCHEMBL6318443 0.79 ALDH1A1 (0.45) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL5837565 0.78 GPR119 (0.33) ALDH1A1TSHR
SCHEMBL6315172 0.78 ALDH1A1 (0.45) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL5837370 0.78 PTPN1 (0.45) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL5837569 0.78 CXCR2 (0.42) ALDH1A1KMT2A
SCHEMBL5837692 0.77 PTPN1 (0.42) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL6314950 0.77 CXCR2 (0.46) ALDH1A1

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