SCHEMBL4499168

SCHEMBL4499168

O=C(/C=C/C=C(/Cl)c1cc2cc(Br)ccc2o1)NC(CSCc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.39
PIM1 P11309 1/20 0.39
PPARA Q07869 4/20 0.38
PPARG P37231 2/20 0.38
BCAT1 P54687 1/20 0.38
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4499171 1.00 ACE (0.39) ACEPIM1PPARAPPARGBCAT1
SCHEMBL4499170 1.00 ACE (0.39) ACEPIM1PPARAPPARGBCAT1
SCHEMBL13600889 0.90 ELANE (0.43) PIM1PPARABCAT1TDP1
SCHEMBL4495288 0.77 SLC10A1 (0.37) ACEPPARAPPARGTDP1
SCHEMBL4496038 0.75 PIM1 (0.58) PIM1BCAT1
SCHEMBL4496048 0.75 PIM1 (0.58) PIM1BCAT1
SCHEMBL13600880 0.70 ELANE (0.39)
SCHEMBL9989457 0.69 TAS1R3 (0.59) ACEPPARAPPARGBCAT1TDP1
SCHEMBL9989447 0.69 TAS1R3 (0.59) ACEPPARAPPARGBCAT1TDP1
SCHEMBL13600967 0.69 PIM1 (0.47) PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
US-20060194851-A1 Benzofuran compound and medicinal composition containing the same NEW INDUSTRY RESEARCH ORGANIZATION, THE (JP) 2006-08-31 US disclosed
EP-1627873-A1 BENZOFURAN COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME The New Industry Research Organization (JP) 2006-02-22 EP 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-20060194851-A1 Benzofuran compound and medicinal composition containing the same LTB4R2, LTC4S, LTB4R ACE 597/4885PIM1 3707/4885PPARA 547/4885

“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.