SCHEMBL5772314

SCHEMBL5772314

COc1ccc2[nH]c(C(=O)NCC3NCCc4c3sc(NC(=O)C(=O)O)c4C(=O)O)cc2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.79
KDM4E B2RXH2 10/20 0.46
MAPT P10636 6/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 5/20 0.44
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
PLCG2 P16885 1/20 0.42
KMT2A Q03164 3/20 0.41
DRD2 P14416 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
SCHEMBL5769138 0.89 PTPN1 (0.84) PTPN1KDM4EKMT2ADRD2DRD4
SCHEMBL5770879 0.89 PTPN1 (0.84) PTPN1KDM4EKMT2ADRD2DRD4
SCHEMBL5769156 0.88 PTPN1 (1.00) PTPN1KDM4EALDH1A1HDAC6HDAC3
SCHEMBL5767679 0.87 PTPN1 (0.81) PTPN1KDM4ENPC1RAB9AALDH1A1
SCHEMBL5769149 0.87 PTPN1 (0.81) PTPN1KDM4ENPC1RAB9AALDH1A1
SCHEMBL5771216 0.85 PTPN1 (0.57) PTPN1KDM4EALDH1A1HDAC6HDAC3
SCHEMBL5768963 0.83 PTPN1 (0.69) PTPN1KDM4EMAPTALDH1A1KMT2A
SCHEMBL5772291 0.83 PTPN1 (0.69) PTPN1KDM4EMAPTRAB9AALDH1A1
SCHEMBL5837940 0.82 PTPN1 (0.54) PTPN1KDM4EMAPTNPC1RAB9A
SCHEMBL5768909 0.78 PTPN1 (0.62) PTPN1

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 2/4885KDM4E 890/4885MAPT 4142/4885

“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.