SCHEMBL5770549

SCHEMBL5770549

CC(c1ccccc1)N1Cc2sc(N)c(C(=O)OC(C)(C)C)c2CC1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.38
GRM6 O15303 1/20 0.37
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
CXCR2 P25025 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
UTS2R Q9UKP6 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
SCHEMBL5770553 1.00 ADORA1 (0.38) ADORA1GRM6KMT2AMAPTMEN1
SCHEMBL5771598 1.00 ADORA1 (0.38) ADORA1GRM6KMT2AMAPTMEN1
SCHEMBL7211154 1.00 ADORA1 (0.38) ADORA1GRM6KMT2AMAPTMEN1
SCHEMBL7094863 0.90 ADORA1 (0.40) ADORA1KMT2AMAPTMEN1LMNA
SCHEMBL7004595 0.90 ADORA1 (0.40) ADORA1KMT2AMAPTMEN1LMNA
SCHEMBL7094861 0.90 ADORA1 (0.40) ADORA1KMT2AMAPTMEN1LMNA
SCHEMBL7735418 0.88 ADORA1 (0.42) ADORA1GRM6KMT2AMAPTMEN1
SCHEMBL5770132 0.88 ADORA1 (0.42) ADORA1GRM6KMT2AMAPTMEN1
SCHEMBL7517368 0.88 ADORA1 (0.42) ADORA1GRM6KMT2AMAPTMEN1
SCHEMBL5838733 0.88 ADORA1 (0.42) ADORA1GRM6KMT2AMAPTMEN1

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 9 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
EP-1301516-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK AS (DK) 2006-03-22 EP disclosed
US-6613903-B2 Such as 7-(benzoylamino-methyl)-2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno(2,3 -c)pyridine-3-carboxylic acid for treatment of diabetes, insulin resistance, and obesity NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
US-20020151561-A1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2002-10-17 US disclosed
US-20020099073-A1 Modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2002-07-25 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020151561-A1 Modulators of Protein Tyrosine Phosphatases (PTPases) PTPRO, PTPN1, PTPRS ADORA1 1290/4885GRM6 2745/4885KMT2A 3421/4885
US-20020099073-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPN1, PTPRO, PTPRS ADORA1 1492/4885GRM6 3132/4885KMT2A 3426/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.