Sugi Predict

Sugi Predict / Compounds / SCHEMBL3213773

SCHEMBL3213773

SCHEMBL3213773

CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(CC)c1NC(=O)c1cccc(N)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ P2RX1 P51575 2/20 0.38
▸ HTT P42858 2/20 0.37
▸ CFTR P13569 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL3201812 0.84 P2RX1 (0.44) ALDH1A1P2RX1SMN1; SMN2LMNANPC1
SCHEMBL3220704 0.80 ALDH1A1 (0.32) KDM4EALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL3215598 0.78 ALDH1A1 (0.33) KDM4EALDH1A1HTTLMNAMAPT
SCHEMBL3226663 0.77 ALDH1A1 (0.42) PTGS1KDM4EALDH1A1LMNANPC1
SCHEMBL14850213 0.77 ALDH1A1 (0.42) PTGS1KDM4EALDH1A1P2RX1HTT
SCHEMBL3211447 0.76 PTGS1 (0.42) PTGS1KDM4EALDH1A1P2RX1HTT
SCHEMBL2008830 0.75 ALDH1A1 (0.70) PTGS1KDM4EALDH1A1P2RX1SMN1; SMN2
SCHEMBL28151755 0.74 ALDH1A1 (0.36) PTGS1KDM4EALDH1A1P2RX1HTT
SCHEMBL3220253 0.73 KDM4E (0.40) PTGS1KDM4EALDH1A1LMNANPC1
SCHEMBL298535 0.73 ALDH1A1 (0.40) PTGS1KDM4EALDH1A1P2RX1HTT

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
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-8247594-B2 Insecticidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-08-21 — — US disclosed
US-20100130601-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-05-27 — — 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
EP-2114161-A1 INSECTICIDAL COMPOUNDS Syngeta Participations AG (CH) 2009-11-11 — — EP disclosed
WO-2008107091-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-09-12 — — 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 (2 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-20100130601-A1 INSECTICIDAL COMPOUNDS ACHE, NIT2, CHRM1 PTGS1 328/4885KDM4E 3298/4885ALDH1A1 146/4885
US-20100056639-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, NIT2 PTGS1 273/4885KDM4E 2732/4885ALDH1A1 122/4885

“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.