SCHEMBL3204282

SCHEMBL3204282

CCOC(=O)COc1c(C(=O)OC)sc2c1sc1c(NCC3CCCCC3)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.39
PTPN1 P18031 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PTGER4 P35408 2/20 0.35
CASP3 P42574 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 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
SCHEMBL3181104 0.88 NLRP3 (0.38) TDP1ALDH1A1L3MBTL1HPGDCASP3
SCHEMBL3200108 0.88 ALOX15 (0.39) PTPN1TDP1KDM4EL3MBTL1CASP3
SCHEMBL3192671 0.82 KDM4E (0.34) PTPN1TDP1ALDH1A1MEN1KMT2A
SCHEMBL3192067 0.82 KDM4E (0.34) PTPN1TDP1ALDH1A1MEN1KMT2A
SCHEMBL3197870 0.82 PTPN1 (0.55) CD38PTPN1KDM4EMCL1
SCHEMBL3204279 0.81 RXFP1 (0.36) ALDH1A1KDM4EL3MBTL1GAAMAPT
SCHEMBL3201247 0.80 KDM4E (0.33) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3196241 0.80 LMNA (0.39) PTPN1ALDH1A1KDM4EHPGDGAA
SCHEMBL3181101 0.80 ALDH1A1 (0.35) PTPN1ALDH1A1KDM4EHPGDGAA
SCHEMBL3189288 0.79 KMT2A (0.44) PTPN1TDP1ALDH1A1MEN1KMT2A

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 CD38 3840/4885PTPN1 22/4885TDP1 2612/4885

“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.