Sugi Predict

Sugi Predict / Compounds / SCHEMBL2773006

SCHEMBL2773006

SCHEMBL2773006

CCOCC(=O)NCc1c([S+]([O-])C(F)(F)F)c(C#N)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRB3 P28472 20/20 0.39
▸ GABRA2 P47869 13/20 0.39
▸ GABRB2 P47870 13/20 0.39
▸ GABRP O00591 9/20 0.39
▸ GABRD O14764 9/20 0.39
▸ GABRA1 P14867 9/20 0.39
▸ GABRB1 P18505 9/20 0.39
▸ GABRG2 P18507 9/20 0.39
▸ GABRA5 P31644 9/20 0.39
▸ GABRA3 P34903 9/20 0.39
▸ GABRA4 P48169 9/20 0.39
▸ GABRE P78334 9/20 0.39
▸ GABRA6 Q16445 9/20 0.39
▸ GABRG1 Q8N1C3 9/20 0.39
▸ GABRG3 Q99928 9/20 0.39
▸ GABRQ Q9UN88 9/20 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
SCHEMBL2770596 0.87 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3427561 0.83 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6793299 0.82 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7599633 0.81 GABRB3 (0.38) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2773010 0.79 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7047042 0.79 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL28345400 0.78 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2840061 0.78 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9010458 0.77 GABRB3 (0.38) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7044231 0.77 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD

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
EP-1286970-B1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS AND NOVEL INTERMEDIATES THEREOF MERIAL LTD (US) 2010-04-28 — — EP disclosed
US-20030166940-A1 Processes for the preparation of pesticidal compounds and novel intermediates thereof MERIAL, INC. 2003-09-04 — — US disclosed
EP-1286970-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS AND NOVEL INTERMEDIATES THEREOF AVENTIS CROPSCIENCE S.A. (FR) 2003-03-05 — — EP disclosed
EP-1223165-A1 Processes for the preparation of pesticidal compound AVENTIS CROPSCIENCE S.A. (FR) 2002-07-17 — — EP disclosed
WO-2001094316-A1 PROCESSES FOR THE PREPARATION OF PESTICIDAL COMPOUNDS AND NOVEL INTERMEDIATES THEREOF BAYER CROPSCIENCE S.A. (FR) 2001-12-13 — — 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-20030166940-A1 Processes for the preparation of pesticidal compounds and novel intermediates thereof DDT, KCNH1, HCN4 GABRB3 3169/4885GABRA2 3577/4885GABRB2 3121/4885

“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.