SCHEMBL949082

SCHEMBL949082

O=C(O)CCCS(=O)(=O)/C=C/c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
PPARG P37231 1/20 0.40
MAOB P27338 2/20 0.40
PPARA Q07869 2/20 0.39
HSD11B1 P28845 1/20 0.39
ALB P02768 1/20 0.39
LMNA P02545 1/20 0.38
NFE2L2 Q16236 1/20 0.38
AHR P35869 1/20 0.37

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
SCHEMBL949084 1.00 GAA (0.47) GAACYP1A2ALDH1A1POLBPPARG
SCHEMBL948030 0.91 CYP1A2 (0.44) GAACYP1A2PPARGMAOBHSD11B1
SCHEMBL948029 0.91 CYP1A2 (0.44) GAACYP1A2PPARGMAOBHSD11B1
SCHEMBL951936 0.82 ALDH1A1 (0.41) GAACYP1A2ALDH1A1POLBPPARG
SCHEMBL951935 0.82 ALDH1A1 (0.41) GAACYP1A2ALDH1A1POLBPPARG
SCHEMBL7825192 0.76 GAA (0.56) GAACYP1A2ALDH1A1PPARGPPARA
SCHEMBL5873326 0.76 GAA (0.56) GAACYP1A2ALDH1A1PPARGPPARA
SCHEMBL5873328 0.76 GAA (0.56) GAACYP1A2ALDH1A1PPARGPPARA
SCHEMBL950937 0.75 GAA (0.42) GAAALDH1A1HSD11B1LMNA
SCHEMBL950935 0.75 GAA (0.42) GAAALDH1A1HSD11B1LMNA

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-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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 (2 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 GAA 4808/4885CYP1A2 23/4885ALDH1A1 2246/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 GAA 4834/4885CYP1A2 26/4885ALDH1A1 2316/4885

“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.