SCHEMBL3198197

SCHEMBL3198197

COC(=O)CSc1c(C(=O)OC)sc2cc(C(=O)OC(C)(C)C)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
KDM4E B2RXH2 5/20 0.54
GLA P06280 4/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HSD17B10 Q99714 3/20 0.54
HPGD P15428 3/20 0.54
MAPK1 P28482 2/20 0.54
ALOX15 P16050 2/20 0.54
POLB P06746 2/20 0.36
GAA P10253 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 4/20 0.35
LMNA P02545 2/20 0.35
PRNP P04156 2/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL3205578 0.82 LCK (0.42) MAPTKDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL3204490 0.82 MAPT (0.51) MAPTKDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL4126482 0.80 KDM4E (0.41) MAPTKDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL3195877 0.74 LCK (0.39) MAPTKDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL4200358 0.73 MAPT (0.49) MAPTKDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL4217200 0.72 HSD17B10 (0.44) MAPTKDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL4196970 0.72 HSD17B10 (0.44) MAPTKDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL4121844 0.70 MAPT (0.38) MAPTKDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL3198271 0.70 PTPN2 (0.38) MAPTKDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL4980078 0.69 HSD17B10 (0.41) MAPTKDM4EGLAALDH1A1SMN1; SMN2

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 2061/4885GLA 3211/4885

“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.