SCHEMBL2583566

SCHEMBL2583566

O=Cc1cc2sc(I)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.47
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31

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
SCHEMBL21775961 0.76
SCHEMBL22832614 0.74 CYP2A6 (0.45) CYP2A6ICAM1SELE
SCHEMBL23171297 0.70 CYP2A6 (0.39) CYP2A6
SCHEMBL7250022 0.70 CYP2A6 (0.45) CYP2A6
SCHEMBL20994206 0.70 CYP2A6 (0.42) CYP2A6ICAM1SELE
SCHEMBL20994213 0.70 CYP2A6 (0.42) CYP2A6ICAM1SELE
SCHEMBL18032729 0.70 CYP2A6 (0.42) CYP2A6ICAM1SELE
SCHEMBL20907816 0.70 CYP2A6 (0.41) CYP2A6
SCHEMBL3483221 0.69 CA2 (0.47) CYP2A6
SCHEMBL12683511 0.68 CYP2A6 (0.54) CYP2A6ICAM1SELE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566848-A1 IMPROVED OLIGOTHIOPHENES Commonwealth Scientific and Industrial Research Organisation (AU) 2013-03-13 EP disclosed
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 US disclosed
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 US disclosed
US-20130042918-A1 OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARIAL ORGANISATION 2013-02-21 US disclosed
WO-2011137487-A1 IMPROVED OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-11-10 WO disclosed
WO-2011137487-A1 IMPROVED OLIGOTHIOPHENES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-11-10 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-20130042918-A1 OLIGOTHIOPHENES NR0B2, NR2C2, NR1H2 CYP2A6 416/4885ICAM1 4547/4885SELE 2993/4885

“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.