Sugi Predict

Sugi Predict / Compounds / SCHEMBL3025979

SCHEMBL3025979

SCHEMBL3025979

CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1cccc(N=S=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ITGB3 P05106 2/20 0.38
▸ ITGAV P06756 2/20 0.38
▸ ITGA2B P08514 2/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGB5 P18084 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ POLB P06746 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ABCC9 O60706 1/20 0.35
▸ ABCC8 Q09428 1/20 0.35
▸ KCNJ11 Q14654 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
SCHEMBL1275245 0.84 KCNK3 (0.50) MAPTALDH1A1KDM4EHPGDALOX15
SCHEMBL408006 0.82 KDM4E (0.62) MAPTALDH1A1KDM4EHPGDALOX15
SCHEMBL12658677 0.79 ITGB3 (0.47) MAPTITGB3ITGAVITGA2BITGB1
SCHEMBL297830 0.77 KDM4E (0.43) MAPTALDH1A1KDM4EHPGDALOX15
SCHEMBL1274554 0.77 TRPA1 (0.48) MAPTALDH1A1KDM4EHPGDALOX15
SCHEMBL1275206 0.77 MAPT (0.39) MAPTALDH1A1KDM4EHPGDALOX15
SCHEMBL1274944 0.76 HDAC3 (0.40) MAPTALDH1A1KDM4EHPGDALOX15
SCHEMBL698979 0.76 ITGB3 (0.44) MAPTALDH1A1KDM4EITGB3ITGAV
SCHEMBL12356433 0.76 POLB (0.46) MAPTALDH1A1GAAPOLBHTT
SCHEMBL2008830 0.76 ALDH1A1 (0.70) MAPTALDH1A1KDM4EHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389767-B2 Processes and compounds SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 — — US disclosed
US-8389767-B2 Processes and compounds SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 — — US disclosed
US-8389767-B2 Processes and compounds SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 — — US disclosed
US-20100204504-A1 NOVEL PROCESSES AND COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-12 — — US disclosed
US-20100204504-A1 NOVEL PROCESSES AND COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-12 — — US disclosed
US-20100204504-A1 NOVEL PROCESSES AND COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-12 — — US disclosed
EP-2183212-A1 NOVEL PROCESSES AND COMPOUNDS Syngenta Participations AG (CH) 2010-05-12 — — EP disclosed
WO-2009030457-A1 NOVEL PROCESSES AND COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-03-12 — — WO disclosed
WO-2009030457-A1 NOVEL PROCESSES AND COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-03-12 — — 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 (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-20100204504-A1 NOVEL PROCESSES AND COMPOUNDS DDT, CYP4B1, CYP4F3 MAPT 3111/4885ALDH1A1 351/4885KDM4E 1085/4885

“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.