SCHEMBL3205752

SCHEMBL3205752

COC(=O)c1sc2c(cnc3ccc(C)cc32)c1OCC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGER4 P35408 1/20 0.37
MAPK1 P28482 1/20 0.36
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.34
POLB P06746 2/20 0.33
TP53 P04637 2/20 0.33
MITF O75030 1/20 0.33

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
SCHEMBL3201488 0.84 PTGER4 (0.41) MAPTALDH1A1NPSR1CYP2C9CYP2C19
SCHEMBL3196453 0.78 MAPT (0.46) MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL3181081 0.77 PTPN1 (0.47) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL3198589 0.76 KDM4E (0.47) MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL4120166 0.74 KDM4E (0.43) MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL4126937 0.72 KDM4E (0.39) MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL4118479 0.72 KDM4E (0.39) MAPTSMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL4119895 0.72 KDM4E (0.39) MAPTSMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL6505261 0.72 MAPT (0.39) MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2
SCHEMBL4133173 0.72 KDM4E (0.60) MAPTALDH1A1SMN1; SMN2NPSR1CYP1A2

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 3897/4885ALDH1A1 907/4885SMN1; SMN2 4389/4885

“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.