SCHEMBL3198176

SCHEMBL3198176

COC(=O)N(CC1CCCCC1)c1cccc2c1sc1c(OCC(=O)O)c(C(=O)O)sc12

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 18/20 0.47
PTPN2 P17706 4/20 0.47
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
PTPRC P08575 1/20 0.34

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
SCHEMBL3188661 0.91 PTPN1 (0.48) PTPN1PTPN2CHRM2CHRM1CHRM3
SCHEMBL3187528 0.89 PTPN1 (0.45) PTPN1PTPN2PTPRC
SCHEMBL3203630 0.85 PTPN1 (0.48) PTPN1PTPN2PTPRC
SCHEMBL3197858 0.81 PTPN1 (0.52) PTPN1PTPN2PTPRC
SCHEMBL3190580 0.80 PTPN1 (0.50) PTPN1PTPN2PTPRC
SCHEMBL3192067 0.78 KDM4E (0.34) PTPN1PTPN2
SCHEMBL3197870 0.78 PTPN1 (0.55) PTPN1PTPN2PTPRC
SCHEMBL3201247 0.76 KDM4E (0.33)
SCHEMBL3192619 0.75 PTPN1 (0.54) PTPN1PTPN2PTPRC
SCHEMBL3908492 0.75 PTPN1 (0.53) PTPN1PTPN2

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 14/4885CHRM2 4505/4885

“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.