SCHEMBL757431

SCHEMBL757431

CC(Br)(COC(F)F)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 3/20 0.39
CTSG P08311 3/20 0.39
CTRB1 P17538 3/20 0.39
CMA1 P23946 3/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTPN1 P18031 2/20 0.37
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

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
Hydrochloric Acid SCHEMBL756285 0.81 CES1 (0.41) CES1SRCPRSS1CTSGCTRB1
SCHEMBL10458129 0.80 CES1 (0.53) CES1SRCPRSS1CTSGCTRB1
SCHEMBL317335 0.74 CES1 (0.44) CES1SRCPRSS1CTSGCTRB1
SCHEMBL9718653 0.72 SRC (0.45) CES1SRCPRSS1CTSGCTRB1
SCHEMBL9718636 0.69 SRC (0.53) CES1SRCPRSS1CTSGCTRB1
SCHEMBL8861334 0.69 CES1 (0.52) CES1SRCMAPK1TSHRTDP1
SCHEMBL758154 0.68 CES1 (0.56) CES1SRCPRSS1CTSGCTRB1
SCHEMBL25930136 0.68 CES1 (0.56) CES1SRCMAPK1TSHRTDP1
SCHEMBL14332766 0.68 TDP1 (0.50) CES1MAPK1HIF1ATSHRTDP1
SCHEMBL6251843 0.68 CES1 (0.43) CES1SRCMAPK1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959742-B1 FUNGICIDAL COMPOSITION CONTAINING CARBOXYLIC ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA (JP) 2016-11-02 EP disclosed
US-8420572-B2 Fungicidal composition containing carboxylic acid amide derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-04-16 US disclosed
EP-1776011-B1 FUNGICIDAL COMPOSITION CONTAINING AN ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA (JP) 2012-03-21 EP disclosed
US-8039420-B2 Fungicidal composition containing acid amide derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-10-18 US disclosed
US-7829501-B2 Fungicidal composition containing acid amide derivative ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-11-09 US disclosed
US-20100261735-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-10-14 US disclosed
US-20100261675-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-10-14 US disclosed
US-20100222337-A1 FUNGICIDAL COMPOSITION CONTAINING CARBOXYLIC ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-09-02 US disclosed
US-20080318779-A1 N-[(4'-methoxy-2'-methyl-1,1-dimethyl)phenacyl]-3-methyl-2-thiophenecarboxamide and another fungicide or an antibiotic; controlling noxious fungi at a low dose; Oomycetes, Ascomycetes, Basidiomycetes, Deuteromycetes particularly effective against Ascomycetes or Deuteromycetes; plant diseases ISHIHARA SANGYO KAISHA LTD (JP) 2008-12-25 US disclosed
EP-1959742-A2 FUNGICIDAL COMPOSITION CONTAINING CARBOXYLIC ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2008-08-27 EP disclosed
WO-2007069777-A2 FUNGICIDAL COMPOSITION CONTAINING CARBOXYLIC ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-06-21 WO disclosed
EP-1776011-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-04-25 EP disclosed
WO-2006016708-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-02-16 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 (4 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-20100222337-A1 FUNGICIDAL COMPOSITION CONTAINING CARBOXYLIC ACID AMIDE DERIVATIVE CNPY2, CBR3, ACOX3 CES1 237/4885SRC 3662/4885PRSS1 3783/4885
US-20080318779-A1 N-[(4'-methoxy-2'-methyl-1,1-dimethyl)phenacyl]-3-methyl-2-thiophenecarboxamide and another fungicide or an antibiotic; controlling noxious fungi at a low dose; Oomycetes, Ascomycetes, Basidiomycetes, Deuteromycetes particularly effective against Ascomycetes or Deuteromycetes; plant diseases AADAC, NAT1, TH CES1 1031/4885SRC 4004/4885PRSS1 4211/4885
US-20100261675-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE CBR3, AADAC, NAT1 CES1 547/4885SRC 2761/4885PRSS1 4151/4885
US-20100261735-A1 FUNGICIDAL COMPOSITION CONTAINING ACID AMIDE DERIVATIVE CBR3, AADAC, NAT1 CES1 547/4885SRC 2761/4885PRSS1 4151/4885

“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.