SCHEMBL3191306

SCHEMBL3191306

O=C(O)COc1c(C(=O)O)sc2c1ccc1cccnc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.52
PTPN2 P17706 3/20 0.52
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
PTPRC P08575 2/20 0.43
EGLN1 Q9GZT9 2/20 0.43
TET2 Q6N021 1/20 0.39
TET1 Q8NFU7 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3193527 0.82 PTPN1 (0.64) PTPN1PTPN2ALDH1A1KDM4EPTPRC
SCHEMBL13926043 0.77 KDM4E (0.71) PTPN1PTPN2HIF1AALDH1A1KDM4E
SCHEMBL4125992 0.77 PTPN1 (0.56) PTPN1PTPN2HIF1AALDH1A1KDM4E
SCHEMBL3193712 0.75 KDM4E (0.40) ALDH1A1KDM4EEGLN1HPGD
SCHEMBL4118782 0.73 PTPN1 (0.61) PTPN1PTPN2KDM4EPTPRC
SCHEMBL4119852 0.73 PTPN1 (0.61) PTPN1PTPN2HIF1APTPRC
SCHEMBL4131579 0.70 KDM4E (0.52) PTPN1PTPN2ALDH1A1KDM4EPTPRC
SCHEMBL3194810 0.70 PTPN1 (0.61) PTPN1PTPN2ALDH1A1KDM4EPTPRC
SCHEMBL3203066 0.70 EGLN1 (0.47) ALDH1A1KDM4EEGLN1
SCHEMBL4120254 0.69 KDM4E (0.68) PTPN1PTPN2ALDH1A1KDM4EHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674822-B2 protein tyrosine phosphatase 1B (PTP1B) modulators; type 2 diabetes, obesity; increasing insulin sensitivity; 1-Carboxymethoxy-3,8-dithia-cyclopenta[a]indene-2-carboxylic acid WYETH (US) 2010-03-09 US disclosed
US-20060135488-A1 protein tyrosine phosphatase 1B (PTP1B) modulators; type 2 diabetes, obesity; increasing insulin sensitivity; 1-Carboxymethoxy-3,8-dithia-cyclopenta[a]indene-2-carboxylic acid WYETH 2006-06-22 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-20060135488-A1 protein tyrosine phosphatase 1B (PTP1B) modulators; type 2 diabetes, obesity; increasing insulin sensitivity; 1-Carboxymethoxy-3,8-dithia-cyclopenta[a]indene-2-carboxylic acid PTPA, PTPRCAP, PTPRC PTPN1 22/4885PTPN2 14/4885HIF1A 1767/4885

“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.