SCHEMBL3203146

SCHEMBL3203146

CCOC(=O)COc1c(C(=O)OC)sc2c1sc1cc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.53
PTPN2 P17706 11/20 0.50
PTPRC P08575 1/20 0.50
CYP2C9 P11712 1/20 0.50
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 2/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3198318 0.93 PTPN1 (0.43) PTPN1PTPN2PTPRCCYP2C9GAA
SCHEMBL3192752 0.86 PTPN1 (0.66) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3190713 0.83 GABRA1 (0.41) PTPN1PTPN2
SCHEMBL3192974 0.82 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL3203156 0.81 PTPN1 (0.53) PTPN1PTPN2PTPRCCYP2C9GAA
SCHEMBL3915924 0.81 PTPN1 (0.74) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3202952 0.80 PTPN1 (0.55) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3200686 0.80 PTPN1 (0.43) PTPN1PTPN2MAPTNPSR1ALDH1A1
SCHEMBL3191253 0.79 SIGMAR1 (0.41) PTPN1ALDH1A1HSD17B10
SCHEMBL3906665 0.79 PTPN1 (0.77) PTPN1PTPN2PTPRCCYP2C9

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 14/4885PTPRC 3/4885

“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.