SCHEMBL3203635

SCHEMBL3203635

O=C(O)COc1c(C(=O)O)sc2c1sc1c(NC(=O)OCC3CCCCC3)cccc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.48
PTPN2 P17706 4/20 0.48
PTGIR P43119 1/20 0.41
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
MGLL Q99685 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PTPRC P08575 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
SCHEMBL3197870 0.85 PTPN1 (0.55) PTPN1PTPN2PTPRC
SCHEMBL3181104 0.84 NLRP3 (0.38) PTGIRHDAC3HDAC1HDAC2MGLL
SCHEMBL3192619 0.82 PTPN1 (0.54) PTPN1PTPN2PTPRC
SCHEMBL3263153 0.81 PTPN1 (0.50) PTPN1PTPN2PTGIRMGLLPTPRC
SCHEMBL3188655 0.77 PTPN1 (0.47) PTPN1PTPN2PTPRC
SCHEMBL4121429 0.76 PTPN1 (0.55) PTPN1PTPN2PTGIRMGLL
SCHEMBL3198176 0.75 PTPN1 (0.47) PTPN1PTPN2CHRM2CHRM1CHRM3
SCHEMBL3188661 0.74 PTPN1 (0.48) PTPN1PTPN2CHRM2CHRM1CHRM3
SCHEMBL3197858 0.73 PTPN1 (0.52) PTPN1PTPN2PTPRC
SCHEMBL3187528 0.73 PTPN1 (0.45) 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 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 14/4885PTGIR 1941/4885

“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.