SCHEMBL1035595

SCHEMBL1035595

COCCOc1c(S(C)(=O)=O)ccc(C(=O)c2c(C)nn(C)c2O)c1C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.34
ABCB1 P08183 2/20 0.31
LMNA P02545 2/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HBB P68871 1/20 0.30
HSD17B10 Q99714 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL1038477 0.89
SCHEMBL29002977 0.89 ABCB1 (0.32) ABCB1
SCHEMBL1038432 0.88 FPR1 (0.32) LMNAALDH1A1ALOX15TSHRMAPK1
SCHEMBL1037357 0.88 FPR1 (0.36)
SCHEMBL24886350 0.85 NR3C1 (0.37) NR3C1LMNAALDH1A1ALOX15TSHR
SCHEMBL29009565 0.83 ABCB1 (0.31) ABCB1
SCHEMBL645624 0.82 NR3C1 (0.31) NR3C1
SCHEMBL3867685 0.82 ALDH1A1 (0.35) ALDH1A1TSHRHSD17B10
SCHEMBL4584263 0.82 NR3C1 (0.34) NR3C1ALDH1A1
SCHEMBL1035163 0.82 ABCB1 (0.35) NR3C1ABCB1LMNA

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 9 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
CN-116217487-A Benzoyl pyrazole compound and application thereof 沈阳中化农药化工研发有限公司 2023-06-06 CN disclosed
EP-2276743-B1 PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 2013-11-27 EP disclosed
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 NR3C1 1972/4885ABCB1 1993/4885LMNA 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.