SCHEMBL317335

SCHEMBL317335

CC(Br)(COS(C)(=O)=O)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.44
SRC P12931 1/20 0.40
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL10539332 0.84 SRC (0.44) CES1SRCPRSS1CTSGCTRB1
SCHEMBL316922 0.83 CES1 (0.39) CES1SRCPRSS1CTSGCTRB1
SCHEMBL10458129 0.80 CES1 (0.53) CES1SRCPRSS1CTSGCTRB1
SCHEMBL9575059 0.79 CES1 (0.46) CES1SRCPRSS1CTSGCTRB1
SCHEMBL10538127 0.79 ELANE (0.43) SRCALDH1A1NPC1RAB9ALMNA
SCHEMBL6251843 0.78 CES1 (0.43) CES1SRCMAPK1TDP1TSHR
SCHEMBL9575143 0.76 CES1 (0.50) CES1SRCPRSS1CTSGCTRB1
SCHEMBL20885254 0.75 MAPK1 (0.56) MAPK1HIF1ATDP1TSHRALDH1A1
SCHEMBL757431 0.74 CES1 (0.44) CES1SRCPRSS1CTSGCTRB1
SCHEMBL16264853 0.71 CYP2C19 (0.49) MAPK1HIF1AALDH1A1CYP2D6HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093241-B2 Acid amide derivatives, process for their production and pesticides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-01-10 US disclosed
US-20100093707-A1 ACID AMIDE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-04-15 US disclosed
US-7683096-B2 Acid amide derivatives, process for producing these, and pest control agent containing these ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-03-23 US disclosed
US-20040254237-A1 Acid amide derivatives, process for producing these, and pest agent containing these ISHIHARA SANGYO KAISHA LTD. (JP) 2004-12-16 US disclosed
EP-1428817-A1 ACID AMIDE DERIVATIVES, PROCESS FOR PRODUCING THESE, AND PEST CONTROL AGENT CONTAINING THESE ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-06-16 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 (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-20100093707-A1 ACID AMIDE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM NAA15, SAP18, CYP2C18 CES1 593/4885SRC 2405/4885PRSS1 2552/4885
US-20040254237-A1 Acid amide derivatives, process for producing these, and pest agent containing these NAA15, CBR3, CBR1 CES1 729/4885SRC 1611/4885PRSS1 3425/4885

“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.