SCHEMBL3204490

SCHEMBL3204490

C=CCOC(=O)c1ccc2c(SCC(=O)OC)c(C(=O)OC)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 5/20 0.51
HSD17B10 Q99714 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 3/20 0.51
GLA P06280 2/20 0.51
ALOX15 P16050 1/20 0.51
RXFP1 Q9HBX9 2/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 4/20 0.36
POLB P06746 2/20 0.36
PRNP P04156 1/20 0.36
SNCA P37840 1/20 0.35
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 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
SCHEMBL3205728 0.85 KDM4E (0.42) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3198197 0.82 MAPT (0.54) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3193835 0.74 KDM4E (0.36) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2705494 0.69 SNCA (0.58) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11046516 0.69 PTPN11 (0.54) MAPTKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4543668 0.68 KDM4E (0.40) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27479617 0.67 CYP3A4 (0.53) MAPTKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL10072249 0.67 CYP3A4 (0.57) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27528367 0.67 CYP3A4 (0.49) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11826675 0.66 HSD17B10 (0.70) MAPTKDM4EALDH1A1HPGDHSD17B10

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

“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.