SCHEMBL644941

SCHEMBL644941

COCCOc1c(SC)ccc(C(=O)OC)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
GAA P10253 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 5/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
NFKB1 P19838 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
SCHEMBL24886348 0.87 HPGD (0.41) MAPTGAANPSR1KDM4ETHRB
SCHEMBL16035002 0.80 HDAC3 (0.38) MAPTGAANPSR1KDM4ETHRB
SCHEMBL24886365 0.78 MAPT (0.36) MAPTGAANPSR1KDM4ETHRB
SCHEMBL24886364 0.77 MAPT (0.34) MAPTGAANPSR1KDM4ETHRB
SCHEMBL28974036 0.77 L3MBTL1 (0.46) MAPTGAAKDM4EHPGDHSD17B10
SCHEMBL644166 0.77 VCAM1 (0.36) MAPTGAANPSR1KDM4ETHRB
SCHEMBL8490735 0.76 ALDH1A1 (0.43) MAPTGAANPSR1KDM4ETHRB
SCHEMBL27724499 0.76 MAPT (0.35) MAPTGAANPSR1KDM4ETHRB
SCHEMBL643873 0.76 SMN1; SMN2 (0.44) MAPTKDM4EHPGDKMT2AHSD17B10
SCHEMBL8492511 0.75 HPGD (0.40) MAPTGAANPSR1KDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084136-B1 BENZOYLPYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 2013-03-13 EP disclosed
US-8119569-B2 Benzoylpyrazole compounds, process for their production and herbicides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-02-21 US disclosed
US-20100317528-A1 HERBICIDE CONTAINING BENZOYLPYRAZOLE COMPOUND ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-12-16 US disclosed
US-20100075855-A1 BENZOYLPYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-03-25 US disclosed
CN-101573035-A Herbicide containing benzoylpyrazole compound ISHIHARA SANGYO KAISHA (JP) 2009-11-04 CN disclosed
EP-2103215-A1 HERBICIDE CONTAINING BENZOYLPYRAZOLE COMPOUND ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-09-23 EP disclosed
EP-2084136-A1 BENZOYLPYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-08-05 EP disclosed
WO-2008065907-A1 BENZOYLPYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2008-06-05 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 (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 MAPT 4498/4885GAA 2044/4885NPSR1 1499/4885
US-20100075855-A1 BENZOYLPYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM HACL2, HDHD5, CBR3 MAPT 4680/4885GAA 1529/4885NPSR1 914/4885

“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.