SCHEMBL3196337

SCHEMBL3196337

Cc1cc(C)c2ncc3c(OCC(=O)O)c(C(=O)O)sc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.44
PTPN2 P17706 3/20 0.44
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
PTPRC P08575 2/20 0.37
PTGER4 P35408 1/20 0.35
HIF1A Q16665 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
SCHEMBL3181081 0.81 PTPN1 (0.47) PTPN1PTPN2CSNK2A2CSNK2BCSNK2A1
SCHEMBL3201488 0.77 PTGER4 (0.41) KDM4EPTGER4
SCHEMBL13926049 0.75 IKBKB (0.50) PTPN1PTPN2CSNK2A2CSNK2BCSNK2A1
SCHEMBL3193789 0.75 PTPN1 (0.51) PTPN1PTPN2PTPRC
SCHEMBL3194810 0.73 PTPN1 (0.61) PTPN1PTPN2KDM4EPTPRC
SCHEMBL4118791 0.73 PTPN1 (0.47) PTPN1PTPN2KDM4EPKMHTT
SCHEMBL4118782 0.71 PTPN1 (0.61) PTPN1PTPN2KDM4EPTPRC
SCHEMBL13926050 0.69 MCL1 (0.57) PTPN1PTPN2KDM4EPTPRC
SCHEMBL2059355 0.69 CSNK2A2 (0.49) CSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL3191306 0.67 PTPN1 (0.52) PTPN1PTPN2KDM4EPTPRCHIF1A

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 14/4885CSNK2A2 293/4885

“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.