SCHEMBL948030

SCHEMBL948030

O=C(O)CCS(=O)(=O)C=Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.42
PPARG P37231 1/20 0.42
MAOB P27338 2/20 0.41
HSD11B1 P28845 1/20 0.41
NFE2L2 Q16236 2/20 0.40
LMNA P02545 1/20 0.40
AHR P35869 1/20 0.39
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
GRIK3 Q13003 1/20 0.38
CYP1B1 Q16678 1/20 0.38

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
SCHEMBL948029 1.00 CYP1A2 (0.44) CYP1A2GAAPPARGMAOBHSD11B1
SCHEMBL949082 0.91 GAA (0.47) CYP1A2GAAPPARGMAOBHSD11B1
SCHEMBL949084 0.91 GAA (0.47) CYP1A2GAAPPARGMAOBHSD11B1
SCHEMBL5873326 0.85 GAA (0.56) CYP1A2GAAPPARGNFE2L2LMNA
SCHEMBL7825192 0.85 GAA (0.56) CYP1A2GAAPPARGNFE2L2LMNA
SCHEMBL5873328 0.85 GAA (0.56) CYP1A2GAAPPARGNFE2L2LMNA
SCHEMBL950937 0.84 GAA (0.42) GAAHSD11B1LMNAGRIK1GRIK2
SCHEMBL950935 0.84 GAA (0.42) GAAHSD11B1LMNAGRIK1GRIK2
SCHEMBL27755333 0.78 GRIK1 (0.43) CYP1A2PPARGMAOBAHRGRIK1
SCHEMBL1324590 0.77 AHR (0.48) CYP1A2PPARGMAOBNFE2L2AHR

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
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-7534887-B2 Thiazoline derivative and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-19 US disclosed
US-20070010528-A1 Thiazoline derivative and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 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-1669352-A1 THIAZOLINE DERIVATIVE AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2006-06-14 EP 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 (3 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-20070010528-A1 Thiazoline derivative and use of the same TBXA2R, F2, F3 CYP1A2 79/4885GAA 4695/4885PPARG 1045/4885
US-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 CYP1A2 23/4885GAA 4808/4885PPARG 1570/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 CYP1A2 26/4885GAA 4834/4885PPARG 1603/4885

“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.