SCHEMBL317582

SCHEMBL317582

CC(C)(Br)C(=O)c1ccsc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
DAO P14920 1/20 0.54
HDAC1 Q13547 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.42
HSD11B1 P28845 1/20 0.41
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
HTR1A P08908 4/20 0.36
TDP1 Q9NUW8 2/20 0.35
GPR52 Q9Y2T5 1/20 0.35
DPP4 P27487 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL11988941 0.85 CES2 (0.58) CES2CES1LCKFYNDAO
SCHEMBL28587407 0.77 CES2 (0.48) CES2CES1LCKFYNDAO
SCHEMBL12431216 0.77 CES2 (0.58) CES2CES1LCKFYNDAO
SCHEMBL8614179 0.77 CES1 (0.58) CES2CES1LCKFYNDAO
SCHEMBL10425 0.73
SCHEMBL4876161 0.72
SCHEMBL228306 0.72
SCHEMBL2166098 0.72 CES2 (0.71) CES2CES1LCKFYNDAO
SCHEMBL8182714 0.72 CES2 (1.00) CES2CES1LCKFYNDAO
SCHEMBL27536114 0.72 CES2 (0.52) CES2CES1LCKFYNDAO

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 CES2 646/4885CES1 593/4885LCK 3746/4885
US-20040254237-A1 Acid amide derivatives, process for producing these, and pest agent containing these NAA15, CBR3, CBR1 CES2 744/4885CES1 729/4885LCK 2447/4885

“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.