SCHEMBL3202995

SCHEMBL3202995

CCOC(=O)COc1c(C(=O)OC)sc2c1cnc1c(OC)cccc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
TNF P01375 1/20 0.42
LITAF Q99732 1/20 0.42

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
SCHEMBL3198589 0.84 KDM4E (0.47) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL3193789 0.79 PTPN1 (0.51) MEN1KMT2ASMN1; SMN2TNFLITAF
SCHEMBL3196801 0.79 MEN1 (0.41) MEN1KMT2A
SCHEMBL3198134 0.78 KDM4E (0.43) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL17431348 0.75 KDM4E (0.69) KMT2AKDM4ESMN1; SMN2LMNAMAPT
SCHEMBL3190687 0.73 KDM4E (0.41) MEN1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL3189288 0.73 KMT2A (0.44) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL4118472 0.73 KDM4E (0.42) KMT2AKDM4ESMN1; SMN2LMNAMAPT
SCHEMBL4132117 0.72 GAA (0.48) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL4120881 0.72 GAA (0.47) MEN1KMT2AKDM4ESMN1; SMN2LMNA

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 MEN1 4743/4885KMT2A 3165/4885KDM4E 2061/4885

“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.