SCHEMBL3200174

SCHEMBL3200174

O=C(O)COc1c(C(=O)O)sc2c1sc1cc(N(C(=O)c3ccccc3)C3CCCCC3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.54
PTPN2 P17706 3/20 0.54
CHRM2 P08172 5/20 0.37
CHRM3 P20309 5/20 0.37
ALDH1A1 P00352 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.36
PTPRC P08575 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL3263151 0.86 PTPN1 (0.50) PTPN1PTPN2PTPRCPTGDR2
SCHEMBL3188864 0.84 PTPN1 (0.48) PTPN1PTPN2PTPRC
SCHEMBL3187462 0.84 PTPN2 (0.36) PTPN1PTPN2CHRM2CHRM3ALDH1A1
SCHEMBL3180825 0.81 PTPN1 (0.52) PTPN1PTPN2ALDH1A1PTPRCNPC1
SCHEMBL3200852 0.81 PTPN1 (0.54) PTPN1PTPN2PTPRCPTGDR2
SCHEMBL3200190 0.78 PTPN1 (0.40) PTPN1PTPN2ALDH1A1TRPM8PTPRC
SCHEMBL3909673 0.77 PTPN1 (0.62) PTPN1PTPN2PTPRC
SCHEMBL3908707 0.77 PTPN1 (0.49) PTPN1PTPN2PTPRC
SCHEMBL3903360 0.77 PTPN1 (0.49) PTPN1PTPN2PTPRC
SCHEMBL3198299 0.75 PTPN1 (0.54) PTPN1PTPN2ALDH1A1NPC1

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.