Sugi Predict

Sugi Predict / Compounds / SCHEMBL3222044

SCHEMBL3222044

SCHEMBL3222044

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1ccc(C#N)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.36
▸ LRRK2 Q5S007 1/20 0.34
▸ TMPRSS4 Q9NRS4 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ SLC2A2 P11168 1/20 0.33
▸ SLC2A3 P11169 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KCNJ11 Q14654 2/20 0.32

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
SCHEMBL3205435 0.90 AR (0.34) ARTMPRSS4PDK1PDK2PDK3
SCHEMBL3226929 0.86 TAS2R14 (0.38) MEN1HTTKMT2ATAS2R14MAPT
SCHEMBL27953249 0.84 PDK1 (0.43) PDK1PDK2PDK3PDK4MEN1
SCHEMBL3226967 0.83 AR (0.36) ARTMPRSS4PDK1PDK2PDK3
SCHEMBL1766799 0.82 AR (0.38) ARTMPRSS4SLC2A1SLC2A2SLC2A3
SCHEMBL3697985 0.82 AR (0.38) ARTMPRSS4
SCHEMBL1274600 0.81 KMT2A (0.49) TMPRSS4MEN1HTTKMT2AMAPT
SCHEMBL3216577 0.80 RORC (0.50) ARTMPRSS4MEN1HTTKMT2A
SCHEMBL3208889 0.79 KDM4E (0.35) ARLRRK2SLC2A1SLC2A3MAPT
SCHEMBL15429520 0.79 POLB (0.48) MEN1HTTKMT2AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120556-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-03-09 — — EP disclosed
EP-2120556-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-03-09 — — EP disclosed
US-8389766-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 — — US disclosed
US-8389766-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 — — US disclosed
US-8389766-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2013-03-05 — — US disclosed
US-20100056639-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 — — US disclosed
US-20100056639-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 — — US disclosed
US-20100056639-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 — — US disclosed
EP-2120556-A1 INSECTICIDAL COMPOUNDS Syngeta Participations AG (CH) 2009-11-25 — — EP disclosed
WO-2008074427-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-06-26 — — WO disclosed
WO-2008074427-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-06-26 — — 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-20100056639-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, NIT2 AR 1901/4885LRRK2 919/4885TMPRSS4 4526/4885

“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.