SCHEMBL1038432

SCHEMBL1038432

CCn1nc(C)c(C(=O)c2ccc(S(C)(=O)=O)c(OCCOC)c2C)c1O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HBB P68871 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL1035595 0.88 NR3C1 (0.34) ALDH1A1LMNAALOX15TSHRMAPK1
SCHEMBL1037357 0.86 FPR1 (0.36) FPR1
SCHEMBL30042076 0.83 SMN1; SMN2 (0.34) ALDH1A1LMNATSHRHSD17B10
SCHEMBL1032996 0.83 SMN1; SMN2 (0.34) ALDH1A1LMNATSHRHSD17B10
SCHEMBL4326896 0.83 FPR1 (0.31) FPR1
SCHEMBL1035959 0.83 FPR1 (0.30) FPR1
SCHEMBL1965136 0.83 FPR1 (0.33) FPR1ALDH1A1LMNAALOX15TSHR
SCHEMBL4326899 0.82 FPR1 (0.31) FPR1
SCHEMBL30041413 0.82 AURKA (0.32)
SCHEMBL1038477 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160062-A1 PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-06-30 US claimed
EP-2276743-A1 PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-01-26 EP claimed
WO-2009142318-A1 PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-11-26 WO claimed
US-8466089-B2 Pyrazole compounds, process for their production and herbicides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-06-18 US disclosed
US-20110160062-A1 PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-06-30 US disclosed
EP-2276743-A1 PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-01-26 EP disclosed
WO-2009142318-A1 PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-11-26 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-20110160062-A1 PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ARSA, AADAC, PDXK FPR1 2116/4885ALDH1A1 790/4885LMNA 4746/4885

“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.