SCHEMBL3201256

SCHEMBL3201256

CCNC(=O)N(CC1CCCCC1)c1ccc2cc3sc(C(=O)OC)c(OCC(=O)OCC)c3c-2s1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ALDH1A1 P00352 3/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE2A O00408 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
QPCT Q16769 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL3192078 0.92 ESR1 (0.36) ESR1ALDH1A1CASP3SENP7SENP6
SCHEMBL3192682 0.92 ESR1 (0.36) ESR1ALDH1A1CASP3SENP7SENP6
SCHEMBL3187544 0.85 PTPN1 (0.43) PTPN1
SCHEMBL3196259 0.82 PDE2A (0.34) ESR1ALDH1A1PDE2APDE3BPDE3A
SCHEMBL3181111 0.82 PDE2A (0.34) ESR1ALDH1A1CASP3SENP7SENP6
SCHEMBL3204293 0.81 PTPN1 (0.40) ESR1ALDH1A1CASP3SENP7SENP6
SCHEMBL3200166 0.79 ALOX15 (0.39) ESR1ALDH1A1CASP3L3MBTL1MEN1
SCHEMBL3189300 0.77 ALDH1A1 (0.39) ALDH1A1CASP3SENP7SENP6L3MBTL1
SCHEMBL3192856 0.77 PDE2A (0.34) ALDH1A1PDE2APDE3BPDE3AP2RY12
SCHEMBL3198189 0.76 PTPN1 (0.45) PTPN1

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 ESR1 2865/4885ALDH1A1 907/4885CASP3 4278/4885

“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.