Sugi Predict

Sugi Predict / Compounds / SCHEMBL1035647

SCHEMBL1035647

SCHEMBL1035647

CCOc1[c]ncc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GRM5 P41594 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.35
▸ HPGDS O60760 2/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 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
SCHEMBL1036533 0.80 HPGDS (0.39) HPGDSHTTGPR35
SCHEMBL9479980 0.76 MAOB (0.51) GABRG2GABRB3GABRA5GABRA3GRM5
SCHEMBL2177648 0.74 S1PR1 (0.32) GRM5S1PR1
SCHEMBL2178741 0.74 NQO1 (0.39) KDM4ECYP11B1CYP11B2CYP3A4TP53
SCHEMBL2179599 0.73 PTGS2 (0.31) —
SCHEMBL2179782 0.73 FGFR1 (0.31) —
SCHEMBL1034870 0.73 CYP2A6 (0.36) PTGER4HTTCYP11B2MAPT
SCHEMBL2178211 0.73 CHRNB2 (0.34) GRM5KDM4EALDH1A1HPGD
SCHEMBL2178425 0.72 — —
SCHEMBL2179984 0.71 CYP11B1 (0.36) HTTLMNAKDM4ECYP11B1CYP11B2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299262-B2 Pyridylmethyl-sulfonamide compounds BASF SE (DE) 2012-10-30 — — US claimed
JP-2011506281-A — — 2011-03-03 — — JP claimed
EP-2262794-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2010-12-22 — — EP claimed
US-20100317516-A1 Sulfonamide Compounds And Their Use As Fungicide BASF SE (DE) 2010-12-16 — — US claimed
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-09-30 — — US claimed
EP-2231605-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2010-09-29 — — EP claimed
WO-2009103650-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2009-08-27 — — WO claimed
WO-2009071448-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 — — WO claimed
WO-2009071449-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 — — WO claimed
US-8299262-B2 Pyridylmethyl-sulfonamide compounds BASF SE (DE) 2012-10-30 — — US disclosed
US-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests BASF SE (DE) 2011-07-07 — — US disclosed
US-20110065577-A1 Substituted pyridin-4-yl-methyl sulfonamides as fungicides BASF SE (DE) 2011-03-17 — — US disclosed
US-20110045974-A1 Substituted Triazinylmethyl Sulfonamides BASF SE (DE) 2011-02-24 — — US disclosed
US-20110039695-A1 Substituted Pyridazinylmethyl Sulfonamides BASF SE (DE) 2011-02-17 — — US disclosed
WO-2009103650-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2009-08-27 — — WO disclosed
WO-2009071448-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 — — WO disclosed
WO-2009071449-A1 PYRIDYLMETHYL-SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-06-11 — — WO disclosed
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 — — EP disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 — — US disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 — — 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 (6 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-20110039695-A1 Substituted Pyridazinylmethyl Sulfonamides STS, PRXL2A, CNKSR1 GABRG2 3427/4885GABRB3 3982/4885GABRA5 3388/4885
US-20100317516-A1 Sulfonamide Compounds And Their Use As Fungicide STS, ARSA, CYP4X1 GABRG2 1137/4885GABRB3 1888/4885GABRA5 881/4885
US-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests GLRX3, CBR3, PRDX1 GABRG2 1130/4885GABRB3 751/4885GABRA5 1434/4885
US-20110045974-A1 Substituted Triazinylmethyl Sulfonamides STS, TST, TPST2 GABRG2 2848/4885GABRB3 2939/4885GABRA5 2859/4885
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds CBR3, CBR1, CBS GABRG2 3296/4885GABRB3 3002/4885GABRA5 3571/4885
US-20110065577-A1 Substituted pyridin-4-yl-methyl sulfonamides as fungicides CYP4X1, PNPO, PADI1 GABRG2 1587/4885GABRB3 2394/4885GABRA5 1257/4885

“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.