SCHEMBL2017068

SCHEMBL2017068

Cc1c(Cl)ccc(S(C)(=O)=O)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
WDR5 P61964 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD11B1 P28845 1/20 0.37
CES1 P23141 1/20 0.36
CCR2 P41597 4/20 0.36
BDKRB2 P30411 1/20 0.34
BDKRB1 P46663 1/20 0.34
ALDH1A1 P00352 2/20 0.34
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL701788 0.84 L3MBTL1 (0.41) LMNAWDR5L3MBTL1TSHRHTT
SCHEMBL3550070 0.83 LMNA (0.43) LMNAWDR5L3MBTL1TSHRHTT
SCHEMBL7972629 0.82 HTT (0.46) LMNAL3MBTL1TSHRHTTHSD11B1
SCHEMBL4033412 0.81 CA1 (0.42) LMNAWDR5L3MBTL1TSHRHTT
SCHEMBL10014825 0.81 WDR5 (0.46) LMNAWDR5L3MBTL1TSHRHTT
SCHEMBL7396658 0.79 L3MBTL1 (0.37) L3MBTL1TSHRHTTHSD11B1CCR2
SCHEMBL4030951 0.78 WDR5 (0.50) LMNAWDR5L3MBTL1TSHRHTT
SCHEMBL18036960 0.76 EPAS1 (0.52) LMNAWDR5TSHRHTTCCR2
SCHEMBL16849133 0.76 SLC9A1 (0.41) L3MBTL1HSD11B1CCR2ALDH1A1
SCHEMBL16021167 0.76 L3MBTL1 (0.45) L3MBTL1TSHRHTTHSD11B1CCR2

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
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
US-20100317528-A1 HERBICIDE CONTAINING BENZOYLPYRAZOLE COMPOUND ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-12-16 US disclosed
EP-2103215-A1 HERBICIDE CONTAINING BENZOYLPYRAZOLE COMPOUND ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-09-23 EP disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US 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-20100317528-A1 HERBICIDE CONTAINING BENZOYLPYRAZOLE COMPOUND HDHD5, HCAR3, CBR3 LMNA 4589/4885WDR5 274/4885L3MBTL1 738/4885
US-20110160062-A1 PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ARSA, AADAC, PDXK LMNA 4746/4885WDR5 1593/4885L3MBTL1 2260/4885

“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.