SCHEMBL3204293

SCHEMBL3204293

CCOC(=O)COc1c(C(=O)OC)sc2cc3ccc(NCC4CCCCC4)sc-3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
ESR1 P03372 1/20 0.36
PI4KB Q9UBF8 4/20 0.34
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGER4 P35408 1/20 0.32
PRNP P04156 1/20 0.32

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
SCHEMBL3200166 0.88 ALOX15 (0.39) PTPN1ESR1ALDH1A1MEN1KMT2A
SCHEMBL3192682 0.83 ESR1 (0.36) PTPN1ESR1ALDH1A1MEN1KMT2A
SCHEMBL3192078 0.83 ESR1 (0.36) PTPN1ESR1ALDH1A1MEN1KMT2A
SCHEMBL3197885 0.82 PTPN1 (0.57) PTPN1
SCHEMBL3201256 0.81 ESR1 (0.34) PTPN1ESR1ALDH1A1MEN1KMT2A
SCHEMBL3196259 0.81 PDE2A (0.34) ESR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3181111 0.81 PDE2A (0.34) ESR1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3190697 0.81 F9 (0.39) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL3181099 0.80 TDP1 (0.39) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL3189300 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1CASP3

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 PTPN1 22/4885ESR1 2865/4885PI4KB 210/4885

“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.