SCHEMBL9725680

SCHEMBL9725680

FC(F)(F)c1cc[c]c(S)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.33
PTPN5 P54829 1/20 0.33
GPR3 P46089 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CES2 O00748 3/20 0.32
PDE2A O00408 3/20 0.32
MGLL Q99685 1/20 0.32
KIF11 P52732 1/20 0.32
CA2 P00918 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL9681116 0.77 ALDH1A1 (0.37) TSHRALDH1A1HPGDHSD17B10KIF11
SCHEMBL146433 0.74 PDE2A (0.37) TSHRMAPK1ALDH1A1PTPN5NOS3
SCHEMBL149760 0.74 TSHR (0.37) TSHRMAPK1ALDH1A1PTPN5NOS3
SCHEMBL101521 0.73 PDE2A (0.36) TSHRMAPK1ALDH1A1PTPN5NOS3
SCHEMBL95846 0.73 KIF11 (0.36) TSHRMAPK1ALDH1A1PTPN5NOS3
SCHEMBL146946 0.73 TSHR (0.35) TSHRMAPK1ALDH1A1PTPN5NOS3
SCHEMBL4852287 0.73 TSHR (0.45) TSHRMAPK1ALDH1A1PTPN5NOS3
SCHEMBL148163 0.73 TSHR (0.35) TSHRMAPK1ALDH1A1PTPN5NOS3
SCHEMBL3081819 0.73 MGLL (0.41) TSHRMAPK1PTPN5NOS3NOS2
SCHEMBL21061043 0.71 TSHR (0.34) TSHRMAPK1ALDH1A1PTPN5NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-28 US disclosed
EP-2865266-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS Sumitomo Chemical Company, Limited (JP) 2015-04-29 EP disclosed
US-5095032-A PARASITICIDAL NEW SUBSTITUTED THIENOPYRANONES BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0336186-A2 Derivatives of triazolylmethylcyclopropyl-carbinols as material protecting agents BAYER AG (DE) 1989-10-11 EP disclosed
US-4698333-A Use of substituted malonic acid derivatives as agents for combating pests BAYER AKTIENGESELLSCHAFT (DE) 1987-10-06 US disclosed
EP-0081142-B1 1,3,5-TRIAZINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN COMBATING UNDESIRED PLANT GROWTH BASF Aktiengesellschaft (DE) 1986-06-25 EP disclosed
EP-0118833-B1 SUBSTITUTED DIAMIDES OF PHENYLHYDROXY-THIOMALONIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1986-04-02 EP disclosed
US-4562185-A INSECTICIDES; MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1985-12-31 US disclosed
US-4556649-A Substituted malonic acid diamide insecticides, compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 US disclosed
EP-0148499-A2 Substituted derivatives of malonic acid, process for their preparation and their use as pesticides BAYER AG (DE) 1985-07-17 EP disclosed
US-4512797-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1985-04-23 US disclosed
EP-0075117-B1 2H-1,2,4,6-THIATRIAZINE-1,1-DIOXIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1985-03-13 EP disclosed
EP-0126235-A1 Five-membered nitrogen-containing heterocycles, process for their preparation and their use as pesticides BAYER AG (DE) 1984-11-28 EP disclosed
EP-0118833-A1 Substituted diamides of phenylhydroxy-thiomalonic acids, process for their preparation and their use as pesticides BAYER AG (DE) 1984-09-19 EP disclosed
EP-0108351-A2 Use of substituted malonic-acid derivatives as pesticides BAYER AG (DE) 1984-05-16 EP disclosed
US-4428766-A 2N-1,2,4,6,Thiatriazine-1,1-dioxides and their use for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1984-01-31 US disclosed
EP-0081142-A2 1,3,5-Triazinones, process for their preparation and their use in combating undesired plant growth BASF Aktiengesellschaft (DE) 1983-06-15 EP disclosed
EP-0075117-A2 2H-1,2,4,6-thiatriazine-1,1-dioxides, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1983-03-30 EP disclosed
US-4343648-A 6H-1,2,4,6-THIATRIAZINE-1,1-DIOXIDES BASF AKTIENGESELLSCHAFT (DE) 1982-08-10 US 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 (1 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-20150148308-A1 PEST CONTROL COMPOSITION FOR HARMFUL ARTHROPODS, AND PEST CONTROL METHOD FOR HARMFUL ARTHROPODS SFXN1, OSR1, PIR TSHR 3545/4885MAPK1 2945/4885ALDH1A1 2709/4885

“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.