Sugi Predict

Sugi Predict / Compounds / SCHEMBL677248

SCHEMBL677248

SCHEMBL677248

CC[S+]([O-])c1c(C#N)nn(-c2c(Cl)cc(C)cc2Cl)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 8/20 0.39
▸ GABRD O14764 8/20 0.39
▸ GABRA1 P14867 8/20 0.39
▸ GABRB1 P18505 8/20 0.39
▸ GABRG2 P18507 8/20 0.39
▸ GABRB3 P28472 8/20 0.39
▸ GABRA5 P31644 8/20 0.39
▸ GABRA3 P34903 8/20 0.39
▸ GABRA2 P47869 8/20 0.39
▸ GABRB2 P47870 8/20 0.39
▸ GABRA4 P48169 8/20 0.39
▸ GABRE P78334 8/20 0.39
▸ GABRA6 Q16445 8/20 0.39
▸ GABRG1 Q8N1C3 8/20 0.39
▸ GABRG3 Q99928 8/20 0.39
▸ GABRQ Q9UN88 8/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL17548269 0.86 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
Ethiprole SCHEMBL27048 0.86 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
Ethiprole SCHEMBL15756765 0.86 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14434179 0.84 GABRB3 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8187661 0.84 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
Ethiprole SCHEMBL23754762 0.83 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL678091 0.82 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
Fipronil SCHEMBL727927 0.82 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12354582 0.79 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14389621 0.78 GABRB3 (0.54) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9549557-B2 Insecticidal synergistic combinations of phthaldiamide derivatives and fipronil or ethiprole BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-24 — — US disclosed
US-20160044921-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2016-02-18 — — US disclosed
US-20140287915-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2014-09-25 — — US disclosed
US-20110275583-A1 Synergistic active compound combinations BAYER CROPSCIENCE AG (DE) 2011-11-10 — — US disclosed
US-20110124588-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-05-26 — — 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 (4 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-20160044921-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 GABRP 1040/4885GABRD 2233/4885GABRA1 3167/4885
US-20110124588-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 GABRP 1040/4885GABRD 2233/4885GABRA1 3167/4885
US-20140287915-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS ACHE, ACAT2, ACAT1 GABRP 1040/4885GABRD 2233/4885GABRA1 3167/4885
US-20110275583-A1 Synergistic active compound combinations ACHE, ACAT2, ACAT1 GABRP 1227/4885GABRD 2792/4885GABRA1 2977/4885

“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.