SCHEMBL3201488

SCHEMBL3201488

COC(=O)c1sc2c(cnc3c(C)cc(C)cc32)c1OCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.41
LCK P06239 4/20 0.35
THRB P10828 1/20 0.33
CISD2 Q8N5K1 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3205752 0.84 MAPT (0.39) PTGER4THRBCISD2KDM4EMAPT
SCHEMBL3191185 0.78 PTGER4 (0.39) PTGER4LCKTHRBCISD2KDM4E
SCHEMBL3196337 0.77 PTPN1 (0.44) PTGER4KDM4E
SCHEMBL3193712 0.73 KDM4E (0.40) KDM4EMAPTALDH1A1POLBHPGD
SCHEMBL4119895 0.72 KDM4E (0.39) LCKKDM4EMAPTPOLBHPGD
SCHEMBL4118479 0.72 KDM4E (0.39) KDM4EMAPTPOLBHPGDGAA
SCHEMBL4126937 0.72 KDM4E (0.39) KDM4EMAPTALDH1A1POLBHPGD
SCHEMBL4120166 0.72 KDM4E (0.43) KDM4EMAPTALDH1A1POLBHPGD
SCHEMBL4133223 0.71 ALDH1A1 (0.56) KDM4EMAPTALDH1A1POLBHPGD
SCHEMBL24908732 0.70 KDM4E (0.47) KDM4EMAPTALDH1A1POLBHPGD

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 PTGER4 4529/4885LCK 291/4885THRB 325/4885

“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.