SCHEMBL3198589

SCHEMBL3198589

CCOC(=O)COc1c(C(=O)OC)sc2c1cnc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 7/20 0.43
HPGD P15428 4/20 0.43
GAA P10253 1/20 0.43
TACR3 P29371 1/20 0.43
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.42
TOP2A P11388 2/20 0.41
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL3202995 0.84 MEN1 (0.48) KDM4EALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL3198134 0.84 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL17431348 0.78 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL3181856 0.77 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL4118472 0.76 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL3205752 0.76 MAPT (0.39) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL3194810 0.75 PTPN1 (0.61) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3189288 0.74 KMT2A (0.44) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL3190687 0.74 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL17431291 0.73 KDM4E (0.42) KDM4EALDH1A1MAPTHPGDGAA

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 KDM4E 2061/4885ALDH1A1 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.