SCHEMBL3203066

SCHEMBL3203066

COC(=O)c1sc2c(ccc3cccnc32)c1O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 7/20 0.47
KDM4E B2RXH2 4/20 0.45
SLC40A1 Q9NP59 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.42
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HTT P42858 3/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MITF O75030 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL3201511 0.80 LMNA (0.47) KDM4EALDH1A1RAB9AL3MBTL1HTT
SCHEMBL3193712 0.77 KDM4E (0.40) EGLN1KDM4ESLC40A1ALDH1A1TP53
SCHEMBL10477449 0.76 ALDH1A1 (0.50) EGLN1KDM4ESLC40A1ALDH1A1TP53
SCHEMBL4134050 0.75 TP53 (0.64) KDM4EALDH1A1TP53L3MBTL1LMNA
SCHEMBL4858574 0.75 LIMK1 (0.50) EGLN1KDM4EALDH1A1TP53L3MBTL1
SCHEMBL23413127 0.74 ALOX15 (0.47) EGLN1KDM4ESLC40A1ALDH1A1TP53
SCHEMBL244112 0.74 EGLN1 (0.68) EGLN1KDM4EALDH1A1
SCHEMBL4127318 0.71 LMNA (0.49) KDM4EALDH1A1TP53L3MBTL1HTT
SCHEMBL10477383 0.70 ALDH1A1 (0.41) EGLN1KDM4ESLC40A1ALDH1A1TP53
SCHEMBL3191306 0.70 PTPN1 (0.52) EGLN1KDM4EALDH1A1

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 EGLN1 1685/4885KDM4E 2061/4885SLC40A1 3320/4885

“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.