Sugi Predict

Sugi Predict / Compounds / SCHEMBL6793299

SCHEMBL6793299

SCHEMBL6793299

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRB3 P28472 20/20 0.41
▸ GABRA2 P47869 15/20 0.41
▸ GABRB2 P47870 15/20 0.41
▸ GABRP O00591 11/20 0.41
▸ GABRD O14764 11/20 0.41
▸ GABRA1 P14867 11/20 0.41
▸ GABRB1 P18505 11/20 0.41
▸ GABRG2 P18507 11/20 0.41
▸ GABRA5 P31644 11/20 0.41
▸ GABRA3 P34903 11/20 0.41
▸ GABRA4 P48169 11/20 0.41
▸ GABRE P78334 11/20 0.41
▸ GABRA6 Q16445 11/20 0.41
▸ GABRG1 Q8N1C3 11/20 0.41
▸ GABRG3 Q99928 11/20 0.41
▸ GABRQ Q9UN88 11/20 0.41
▸ NR1I2 O75469 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL14648749 0.93 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6472715 0.87 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL11914601 0.85 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3427557 0.84 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2770596 0.84 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3425611 0.84 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL14648750 0.83 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL2773995 0.83 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9010467 0.83 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL11914605 0.83 GABRB3 (0.40) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812347-B2 ALKYLATING SECONDARY AMIDE GROUP OF SUCH AS 1-(2,6-DICHLORO-4-TRIFLUOROMETHYLPHENYL)-3-CYANO-4-TRIFLUOROMETHYLSULFINYL-5-(ETHOXYACETAMIDO)PYRAZOLE; BYPRODUCT INHIBITION; ELIMINATES FINAL PURIFICATION STEP BAYER CROPSCIENCE S.A. (FR) 2004-11-02 — — US claimed
EP-1539116-B1 NON-ANIMAL PRODUCT CONTAINING VETERINARY FORMULATIONS MERIAL INC (US) 2016-02-17 — — EP disclosed
US-9066515-B2 Topical formulations comprising 1-N-arylpyrazole derivatives and amitraz MERIAL, INC. (US) 2015-06-30 — — US disclosed
US-8362086-B2 Long acting injectable formulations MERIAL LIMITED (US) 2013-01-29 — — US disclosed
US-8362086-B2 Long acting injectable formulations MERIAL LIMITED (US) 2013-01-29 — — US disclosed
US-20130023490-A1 TOPICAL FORMULATIONS COMPRISING 1-N-ARYLPYRAZOLE DERIVATIVES AND AMITRAZ MERIAL, INC. 2013-01-24 — — US disclosed
US-8242161-B2 Topical formulations comprising 1-N-arylpyrazole derivatives and amitraz MERIAL LIMITED (US) 2012-08-14 — — US disclosed
US-8242161-B2 Topical formulations comprising 1-N-arylpyrazole derivatives and amitraz MERIAL LIMITED (US) 2012-08-14 — — US disclosed
US-20090192207-A1 Topical Formulations Comprising 1-N-Arylpyrazole Derivatives and Amitraz MERIAL, INC. 2009-07-30 — — US disclosed
US-20090192207-A1 Topical Formulations Comprising 1-N-Arylpyrazole Derivatives and Amitraz MERIAL, INC. 2009-07-30 — — US disclosed
US-7531186-B2 Topical formulations comprising 1-N-arylpyrazole derivatives and amitraz MERIAL LIMITED (US) 2009-05-12 — — US disclosed
US-7531186-B2 Topical formulations comprising 1-N-arylpyrazole derivatives and amitraz MERIAL LIMITED (US) 2009-05-12 — — US disclosed
US-7262214-B2 1-N-arylpyrazole derivatives in prevention of arthropod-borne and mosquito-borne diseases MERIAL LIMITED (US) 2007-08-28 — — US disclosed
US-7262214-B2 1-N-arylpyrazole derivatives in prevention of arthropod-borne and mosquito-borne diseases MERIAL LIMITED (US) 2007-08-28 — — US disclosed
US-20070042013-A1 Long acting injectable formulations MERIAL, INC. 2007-02-22 — — US disclosed
US-20070042013-A1 Long acting injectable formulations MERIAL, INC. 2007-02-22 — — US disclosed
US-7166294-B2 Control of arthropods in rodents CENTERS FOR DISEASE CONTROL AND PREVENTION (US) 2007-01-23 — — US disclosed
US-6812347-B2 ALKYLATING SECONDARY AMIDE GROUP OF SUCH AS 1-(2,6-DICHLORO-4-TRIFLUOROMETHYLPHENYL)-3-CYANO-4-TRIFLUOROMETHYLSULFINYL-5-(ETHOXYACETAMIDO)PYRAZOLE; BYPRODUCT INHIBITION; ELIMINATES FINAL PURIFICATION STEP BAYER CROPSCIENCE S.A. (FR) 2004-11-02 — — 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 (3 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-20130023490-A1 TOPICAL FORMULATIONS COMPRISING 1-N-ARYLPYRAZOLE DERIVATIVES AND AMITRAZ MGAT2, MGAT1, MIF GABRB3 2624/4885GABRA2 3005/4885GABRB2 2735/4885
US-20070042013-A1 Long acting injectable formulations LPXN, VIP, VEGFA GABRB3 3327/4885GABRA2 2436/4885GABRB2 3342/4885
US-20090192207-A1 Topical Formulations Comprising 1-N-Arylpyrazole Derivatives and Amitraz MGAT2, MGAT1, MIF GABRB3 2624/4885GABRA2 3005/4885GABRB2 2735/4885

“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.