SCHEMBL5771216

SCHEMBL5771216

COc1ccc2oc(C(=O)NC[C@@H]3NCCc4c3sc(NC(=O)C(=O)O)c4C(=O)O)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.57
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
TAS1R3 Q7RTX0 8/20 0.41
TAS1R1 Q7RTX1 8/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL7096351 0.85 KDM4E (0.43) PTPN1HDAC3HDAC1HDAC2HDAC4
SCHEMBL5772314 0.85 PTPN1 (0.79) PTPN1HDAC3HDAC1HDAC2HDAC4
SCHEMBL5768709 0.80 PTPN1 (0.57) PTPN1HDAC1HDAC2KDM4EALDH1A1
SCHEMBL5770158 0.77 PTPN1 (0.63) PTPN1OPRM1OPRK1
SCHEMBL5770525 0.77 PTPN1 (0.65) PTPN1ALDH1A1HPGDOPRM1OPRK1
SCHEMBL5769588 0.76 PTPN1 (0.59) PTPN1OPRM1OPRK1
SCHEMBL5768909 0.76 PTPN1 (0.62) PTPN1
SCHEMBL5769077 0.75 PTPN1 (0.59) PTPN1ALDH1A1OPRM1OPRK1
SCHEMBL5769149 0.74 PTPN1 (0.81) PTPN1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5767679 0.74 PTPN1 (0.81) PTPN1KDM4EALDH1A1HPGDHSD17B10

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
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

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

For each of this compound's patents that has machine-readable text (1 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 PTPN1 2/4885HDAC3 2741/4885HDAC1 2024/4885

“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.