SCHEMBL5837175

SCHEMBL5837175

CC(C)(C)OC(=O)c1c(N)sc2c1CCN(C(=O)OC(C)(C)C)C2CN1C(=O)c2ccccc2S1(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
CA12 O43570 5/20 0.38
ELANE P08246 4/20 0.38
CA9 Q16790 4/20 0.38
CA2 P00918 2/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 3/20 0.37
ADORA1 P30542 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL5837554 0.86 ADORA1 (0.40) ADORA1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5837906 0.82 ADORA1 (0.39) TPSAB1TPSD1TPSG1CA12ELANE
SCHEMBL7509761 0.81 CA12 (0.42) CA12CA9CA2RAB9ANPC1
SCHEMBL5837455 0.76 GHSR (0.38) ADORA1ALDH1A1SMN1; SMN2
SCHEMBL5838716 0.75 CA12 (0.45) TPSAB1TPSD1TPSG1CA12ELANE
SCHEMBL7519817 0.74 ADORA1 (0.42) ADORA1POLBGAAALDH1A1HSD17B10
SCHEMBL5837103 0.72 ADORA1 (0.42) NPC1ADORA1KDM4E
SCHEMBL5769847 0.71 GRM6 (0.37) ADORA1MEN1KMT2A
SCHEMBL5768503 0.71 GRM6 (0.37) ADORA1MEN1KMT2A
SCHEMBL5768500 0.71 GRM6 (0.37) ADORA1MEN1KMT2A

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
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