SCHEMBL5770175

SCHEMBL5770175

O=C(CCCc1ccccc1)NC[C@@H]1NCCc2c1sc(NC(=O)C(=O)O)c2C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.55
PTPN2 P17706 10/20 0.48
PTPRC P08575 1/20 0.40
PTPRB P23467 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL5770094 0.90 PTPN1 (0.54) PTPN1PTPN2PTPRCPTPRB
SCHEMBL5768763 0.85 PTPN1 (0.56) PTPN1PTPN2PTPRCPTPRB
SCHEMBL5770525 0.83 PTPN1 (0.65) PTPN1PTPN2PTPRCPTPRB
SCHEMBL7520290 0.83 PTPN1 (0.56) PTPN1PTPN2PTPRCPTPRB
SCHEMBL5770421 0.83 PTPN1 (0.52) PTPN1PTPN2PTPRCPTPRB
SCHEMBL5769077 0.82 PTPN1 (0.59) PTPN1PTPN2PTPRC
SCHEMBL5771521 0.80 PTPN1 (0.61) PTPN1PTPN2PTPRCPTPRB
SCHEMBL5768909 0.80 PTPN1 (0.62) PTPN1PTPN2PTPRCPTPRB
SCHEMBL5769105 0.79 PTPN1 (0.59) PTPN1PTPN2PTPRC
SCHEMBL5770624 0.78 PTPN1 (0.61) PTPN1PTPN2PTPRC

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 4 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
EP-1301516-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2003-04-16 EP 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 2/4885PTPN2 12/4885PTPRC 4/4885

“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.