SCHEMBL3201247

SCHEMBL3201247

CCNC(=O)N(CC1CCCCC1)c1cccc2c1sc1c(OCC(=O)OCC)c(C(=O)OC)sc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
ESR1 P03372 1/20 0.32
ALDH1A1 P00352 6/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 2/20 0.31
HPGD P15428 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL3192671 0.91 KDM4E (0.34) KDM4EESR1ALDH1A1KMT2AMEN1
SCHEMBL3192067 0.91 KDM4E (0.34) KDM4EESR1ALDH1A1KMT2AMEN1
SCHEMBL3187528 0.86 PTPN1 (0.45)
SCHEMBL3204279 0.83 RXFP1 (0.36) KDM4EALDH1A1L3MBTL1MAPTGAA
SCHEMBL3181101 0.82 ALDH1A1 (0.35) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL3196241 0.82 LMNA (0.39) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL3204282 0.80 CD38 (0.39) KDM4EESR1ALDH1A1KMT2AMEN1
SCHEMBL3181104 0.79 NLRP3 (0.38) ALDH1A1TDP1L3MBTL1CASP3SENP7
SCHEMBL3200108 0.78 ALOX15 (0.39) KDM4ETDP1L3MBTL1CASP3
SCHEMBL3198176 0.76 PTPN1 (0.47)

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 2061/4885ESR1 2865/4885ALDH1A1 907/4885

“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.