SCHEMBL3198318

SCHEMBL3198318

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.43
PTPN2 P17706 11/20 0.41
PTPRC P08575 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 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
SCHEMBL3203146 0.93 PTPN1 (0.53) PTPN1PTPN2PTPRCCYP2C9ALDH1A1
SCHEMBL3190713 0.88 GABRA1 (0.41) PTPN1PTPN2
SCHEMBL3192974 0.87 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL3202952 0.85 PTPN1 (0.55) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3204472 0.80 PTPN2 (0.34) PTPN1PTPN2ALDH1A1GAA
SCHEMBL3182263 0.79 ALDH1A1 (0.50) PTPN1PTPN2ALDH1A1CNR1
SCHEMBL3198326 0.78 PTPN1 (0.42) PTPN1PTPN2PTPRCCYP2C9ALDH1A1
SCHEMBL3191962 0.78 ALDH1A1 (0.40) PTPN1PTPN2ALDH1A1GAA
SCHEMBL3192752 0.77 PTPN1 (0.66) PTPN1PTPN2PTPRCCYP2C9
SCHEMBL3200686 0.76 PTPN1 (0.43) PTPN1PTPN2ALDH1A1SMN1; SMN2

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.