SCHEMBL22001968

SCHEMBL22001968

COc1cccc(S(C)(=O)=NC(=O)C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.48
ABCC8 Q09428 1/20 0.48
KCNJ11 Q14654 1/20 0.48
KCNJ8 Q15842 1/20 0.48
RORA P35398 1/20 0.45
RORC P51449 1/20 0.45
NR1H2 P55055 1/20 0.45
MEP1B Q16820 1/20 0.44
KAT6A Q92794 2/20 0.43
MTNR1B P49286 1/20 0.43
CNR1 P21554 1/20 0.42
HSD11B1 P28845 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40

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
SCHEMBL16094564 0.81 POLB (0.48)
SCHEMBL16394073 0.80 ATM (0.40) KAT6AL3MBTL1FLT1FLT4KDR
SCHEMBL16094885 0.79 F2 (0.48) MEP1B
SCHEMBL12750997 0.78 CTSG (0.44)
SCHEMBL3828860 0.76 CYP2C19 (0.41) CES1
SCHEMBL835127 0.76 AKR1C3 (0.44)
SCHEMBL21931347 0.75 PTPN1 (0.38) NR1H2
SCHEMBL31352975 0.73 MTNR1B (0.56) ABCC9ABCC8KCNJ11KCNJ8MEP1B
SCHEMBL3151230 0.73 MTNR1B (0.56) ABCC9ABCC8KCNJ11KCNJ8MEP1B
SCHEMBL18319969 0.71 HTR6 (0.47) ABCC9ABCC8KCNJ11KCNJ8KAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148635-A1 FORMIMIDAMIDINE COMPOUNDS USEFUL AGAINST PHYTOPATHOGENIC MICROORGANISMS PI INDUSTRIES LTD. (IN) 2020-05-14 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-20200148635-A1 FORMIMIDAMIDINE COMPOUNDS USEFUL AGAINST PHYTOPATHOGENIC MICROORGANISMS PADI4, PADI1, PADI2 ABCC9 2090/4885ABCC8 2831/4885KCNJ11 2616/4885

“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.