SCHEMBL920876

SCHEMBL920876

CCCC([S])c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 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
CYP2C9 P11712 1/20 0.35
DRD2 P14416 1/20 0.35
KCNE1 P15382 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 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
SCHEMBL919509 0.89 HTT (0.39) SLC6A2SLC6A4SLC6A3KMT2AMLNR
SCHEMBL920690 0.87 HTT (0.35) SLC6A2SLC6A4SLC6A3KMT2AMLNR
SCHEMBL920264 0.83
SCHEMBL159474 0.79 TAS1R3 (0.37) TAS1R3TAS1R1SLC6A2SLC6A4SLC6A3
SCHEMBL1079558 0.78 ALOX5 (0.40) TAS1R3TAS1R1KMT2AMAPTOPRM1
SCHEMBL9435763 0.76 KMT2A (0.37) TAS1R3TAS1R1SLC6A2SLC6A4SLC6A3
SCHEMBL439568 0.76 TAS1R3 (0.36) TAS1R3TAS1R1SLC6A2SLC6A4SLC6A3
SCHEMBL14386089 0.76 NPC1 (0.51) TAS1R3TAS1R1SLC6A2SLC6A4SLC6A3
SCHEMBL3771663 0.76 TAS1R3 (0.36) TAS1R3TAS1R1SLC6A2SLC6A4SLC6A3
SCHEMBL921267 0.76 TAS1R3 (0.39) TAS1R3TAS1R1SLC6A2SLC6A4SLC6A3

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 2147/4885SLC6A2 3874/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 TAS1R3 882/4885TAS1R1 606/4885SLC6A2 3667/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 TAS1R3 2335/4885TAS1R1 1971/4885SLC6A2 3159/4885

“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.