SCHEMBL921267

SCHEMBL921267

CCCC([O])c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ALOX5 P09917 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KEAP1 Q14145 1/20 0.38
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 4/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
MLNR O43193 1/20 0.35
CACNA1F O60840 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADRB1 P08588 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL921560 0.89 HTT (0.42) TAS1R3TAS1R1ALOX5CES2CES1
SCHEMBL920216 0.87 HTT (0.38) TAS1R3TAS1R1ALOX5CES2CES1
SCHEMBL919640 0.83
SCHEMBL8091679 0.80 TAS1R3 (0.36) TAS1R3TAS1R1ALOX5CES2CES1
SCHEMBL4444118 0.80 ALOX5 (0.42) TAS1R3TAS1R1ALOX5CES2CES1
SCHEMBL159474 0.79 TAS1R3 (0.37) TAS1R3TAS1R1ALOX5CES2CES1
SCHEMBL1079558 0.78 ALOX5 (0.40) TAS1R3TAS1R1ALOX5CES2CES1
SCHEMBL3771663 0.76 TAS1R3 (0.36) TAS1R3TAS1R1ALOX5CES2CES1
SCHEMBL9435763 0.76 KMT2A (0.37) TAS1R3TAS1R1ALOX5CES2CES1
SCHEMBL439568 0.76 TAS1R3 (0.36) TAS1R3TAS1R1ALOX5CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 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 (3 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX TAS1R3 2556/4885TAS1R1 2147/4885ALOX5 1056/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 TAS1R3 882/4885TAS1R1 606/4885ALOX5 1472/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 TAS1R3 2335/4885TAS1R1 1971/4885ALOX5 3971/4885

“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.