SCHEMBL317620

SCHEMBL317620

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 1/20 0.42
LMNA P02545 5/20 0.42
KMT2A Q03164 1/20 0.40
MDM2 Q00987 1/20 0.40
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
CES2 O00748 1/20 0.38

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
SCHEMBL2736640 0.79 PGR (0.49) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL8825606 0.79 PGR (0.49) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL8049080 0.77 PGR (0.47) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL3469756 0.77 PGR (0.44) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL9772331 0.75 PGR (0.49) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL10712783 0.75 ALDH1A1 (0.51) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL756321 0.75 PGR (0.45) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL5265768 0.74 GABRR1 (0.38) ALDH1A1LMNA
SCHEMBL5061150 0.74 GABRR1 (0.38) ALDH1A1LMNA
SCHEMBL5058678 0.74 GABRR1 (0.38) ALDH1A1LMNA

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 PGR 1595/4885ADRA2A 2429/4885ADRA2B 2579/4885
US-20040254237-A1 Acid amide derivatives, process for producing these, and pest agent containing these NAA15, CBR3, CBR1 PGR 1729/4885ADRA2A 2266/4885ADRA2B 2944/4885

“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.