SCHEMBL3204489

SCHEMBL3204489

CCOC(=O)COc1c(C(=O)OC)sc2c1sc1cc(N(CC3CCCCC3)CC3CCCCC3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
F9 P00740 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL3191956 0.86 F9 (0.33) ESR1PTPN2PTPN1F9ALDH1A1
SCHEMBL3192840 0.84 QPCT (0.36) PTPN2PTPN1F9ALDH1A1KDM4E
SCHEMBL3191962 0.83 ALDH1A1 (0.40) ESR1PTPN2PTPN1F9ALDH1A1
SCHEMBL3181093 0.83 TDP1 (0.41) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3187462 0.83 PTPN2 (0.36) PTPN2PTPN1F9ALDH1A1KMT2A
SCHEMBL3190713 0.82 GABRA1 (0.41) PTPN2PTPN1F9CASP3L3MBTL1
SCHEMBL3200852 0.81 PTPN1 (0.54) PTPN2PTPN1
SCHEMBL3181085 0.81 ITK (0.39) ALDH1A1MEN1KMT2APOLB
SCHEMBL3191984 0.81 RAB9A (0.43) ALDH1A1MEN1KMT2APOLB
SCHEMBL3204472 0.80 PTPN2 (0.34) PTPN2PTPN1F9ALDH1A1L3MBTL1

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 ESR1 2865/4885PTPN2 14/4885PTPN1 22/4885

“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.