SCHEMBL3198134

SCHEMBL3198134

CCOC(=O)COc1c(C(=O)OC)sc2c1ccc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPT P10636 5/20 0.43
HPGD P15428 4/20 0.43
LMNA P02545 3/20 0.43
MITF O75030 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TLR9 Q9NR96 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CASP3 P42574 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL17431348 0.78 KDM4E (0.69) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL3202995 0.78 MEN1 (0.48) KDM4EALDH1A1MAPTLMNANPSR1
SCHEMBL4132444 0.78 KDM4E (0.60) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL17431317 0.77 KDM4E (0.48) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL4120881 0.77 GAA (0.47) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL3189288 0.77 KMT2A (0.44) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL3190687 0.77 KDM4E (0.41) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL17431450 0.76 KDM4E (0.47) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL17431291 0.76 KDM4E (0.42) KDM4EALDH1A1MAPTHPGDLMNA

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 KDM4E 2061/4885ALDH1A1 907/4885MAPT 3897/4885

“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.