SCHEMBL223063

SCHEMBL223063

CCOC(=O)c1c(N=Cc2ccc(N(CC)CC)s2)sc(N=Cc2ccc(N(CC)CC)s2)c1C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.53
MAPK1 P28482 1/20 0.43
GAA P10253 4/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 6/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 1/20 0.40
PABPC1 P11940 1/20 0.40
HPGD P15428 1/20 0.40
THRB P10828 1/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL14340738 0.95 PTPN1 (0.49) PTPN1MAPK1GAAHTTALDH1A1
SCHEMBL225260 0.92 PTPN1 (0.65) PTPN1MAPK1GAAHTTALDH1A1
SCHEMBL225261 0.92 PTPN1 (0.65) PTPN1MAPK1GAAHTTALDH1A1
SCHEMBL222431 0.90 MAPT (0.52) PTPN1MAPK1GAAHTTALDH1A1
SCHEMBL222432 0.90 MAPT (0.52) PTPN1MAPK1GAAHTTALDH1A1
SCHEMBL12204878 0.78 PTPN1 (0.79) PTPN1MAPK1GAAHTTALDH1A1
SCHEMBL225037 0.77 MAPT (0.61) PTPN1MAPK1GAAHTTALDH1A1
SCHEMBL12204850 0.77 PTPN1 (0.52) PTPN1MAPK1GAAHTTALDH1A1
SCHEMBL222957 0.76 PTPN1 (0.84) PTPN1MAPK1GAAHTTALDH1A1
SCHEMBL222958 0.76 PTPN1 (0.84) PTPN1MAPK1GAAHTTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004386-A1 CONJUGATED THIOPHENES HAVING CONDUCTING PROPERTIES AND SYNTHESIS OF SAME UNIVERSITE DE MONTREAL (CA) 2012-01-05 US disclosed
US-8034895-B2 Conjugated thiophenes having conducting properties and synthesis of same Université de Montréal (CA) 2011-10-11 US disclosed
US-20070287842-A1 Conjugated Thiophenes Having Conducting Properties and Synthesis of Same UNIVERSITE DE MONTREAL (CA) 2007-12-13 US disclosed
WO-2005073265-A1 CONJUGATED THIOPHENES HAVING CONDUCTING PROPERTIES AND SYNTHESIS OF SAME UNIVERSITE DE MONTREAL (CA) 2005-08-11 WO 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-20070287842-A1 Conjugated Thiophenes Having Conducting Properties and Synthesis of Same DDT, DDC, TRPA1 PTPN1 945/4885MAPK1 3491/4885GAA 2887/4885

“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.