SCHEMBL3205728

SCHEMBL3205728

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 2/20 0.42
HSP90AA1 P07900 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HPGD P15428 5/20 0.41
HSD17B10 Q99714 5/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 3/20 0.41
ALOX15 P16050 3/20 0.41
GLA P06280 2/20 0.41
SNCA P37840 1/20 0.39
LCK P06239 1/20 0.39
MAOB P27338 1/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 2/20 0.36
HDAC1 Q13547 1/20 0.36
ATM Q13315 2/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL3204490 0.85 MAPT (0.51) KDM4ESMN1; SMN2NPC1HSP90AA1RXFP1
SCHEMBL7491144 0.79 MAOB (0.45) KDM4ESMN1; SMN2HPGDHSD17B10MAPT
SCHEMBL3193835 0.79 KDM4E (0.36) KDM4ESMN1; SMN2NPC1HSP90AA1RXFP1
SCHEMBL7571864 0.78 KDM4E (0.46) KDM4ESMN1; SMN2RXFP1HPGDHSD17B10
SCHEMBL3205578 0.78 LCK (0.42) KDM4ESMN1; SMN2NPC1HPGDHSD17B10
SCHEMBL4863291 0.76 CYP3A4 (0.51) KDM4ESMN1; SMN2NPC1HPGDHSD17B10
SCHEMBL3198198 0.75 SMN1; SMN2 (0.36) KDM4ESMN1; SMN2NPC1HSP90AA1RXFP1
SCHEMBL2705494 0.74 SNCA (0.58) KDM4ESMN1; SMN2NPC1HSP90AA1RXFP1
SCHEMBL13926048 0.74 BCL2L1 (0.51) KDM4ESMN1; SMN2NPC1HPGDHSD17B10
SCHEMBL11046516 0.74 PTPN11 (0.54) KDM4ESMN1; SMN2NPC1HSP90AA1RXFP1

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 6 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
EP-0918768-B1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RES LAB (KR) 2002-01-09 EP disclosed
US-6201006-B1 ANTICOAGULANTS C & C RESEARCH LABORATORIES (KR) 2001-03-13 US disclosed
EP-0918768-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C Research Laboratories (KR) 1999-06-02 EP disclosed
WO-1997045424-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RESEARCH LABORATORIES (KR) 1997-12-04 WO 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 2061/4885SMN1; SMN2 4389/4885NPC1 3593/4885

“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.