SCHEMBL677097

SCHEMBL677097

Cc1cc(Cl)c(-n2nc(C(N)=S)c([S+]([O-])C(F)(F)F)c2N)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRP O00591 19/20 0.41
GABRD O14764 19/20 0.41
GABRA1 P14867 19/20 0.41
GABRB1 P18505 19/20 0.41
GABRG2 P18507 19/20 0.41
GABRB3 P28472 19/20 0.41
GABRA5 P31644 19/20 0.41
GABRA3 P34903 19/20 0.41
GABRA2 P47869 19/20 0.41
GABRB2 P47870 19/20 0.41
GABRA4 P48169 19/20 0.41
GABRE P78334 19/20 0.41
GABRA6 Q16445 19/20 0.41
GABRG1 Q8N1C3 19/20 0.41
GABRG3 Q99928 19/20 0.41
GABRQ Q9UN88 19/20 0.41
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL33214 0.88 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4797885 0.87 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15337137 0.86 GABRP (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL41425 0.85 L3MBTL1 (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4751430 0.82 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12993977 0.81 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7667746 0.79 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL678091 0.79 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7779071 0.78 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20089290 0.77 GABRP (0.53) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9913473-B2 Crystalline modification of fipronil BASF SE (DE) 2018-03-13 US disclosed
US-9451772-B2 Crystalline modification of fipronil BASF SE (DE) 2016-09-27 US disclosed
US-20130137571-A1 Crystalline Modification of Fipronil BASF SE (DE) 2013-05-30 US disclosed
US-20120225776-A1 Crystalline Modification of Fipronil BASF SE (DE) 2012-09-06 US disclosed
US-8063092-B2 Crystalline modification of fipronil BASF SE (DE) 2011-11-22 US disclosed
US-20110201662-A1 METHOD FOR PRODUCING XPS MOULDED PIECES PROVIDED WITH INSECTICIDE BASF SE (DE) 2011-08-18 US disclosed
US-20110002998-A1 PROCESS FOR THE PRODUCTION OF INSECTICIDE-MODIFIED BEAD MATERIAL COMPOSED OF EXPANDABLE POLYSTYRENE AND INSECTICIDE-MODIFIED MOLDINGS OBTAINABLE THEREFROM BASF SE (DE) 2011-01-06 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-20110002998-A1 PROCESS FOR THE PRODUCTION OF INSECTICIDE-MODIFIED BEAD MATERIAL COMPOSED OF EXPANDABLE POLYSTYRENE AND INSECTICIDE-MODIFIED MOLDINGS OBTAINABLE THEREFROM POR, PICALM, HEATR6 GABRP 409/4885GABRD 200/4885GABRA1 184/4885
US-20120225776-A1 Crystalline Modification of Fipronil FIP1L1, PTMS, FIBP GABRP 845/4885GABRD 3657/4885GABRA1 2202/4885
US-20130137571-A1 Crystalline Modification of Fipronil FIP1L1, PTMS, FIBP GABRP 845/4885GABRD 3657/4885GABRA1 2202/4885
US-20110201662-A1 METHOD FOR PRODUCING XPS MOULDED PIECES PROVIDED WITH INSECTICIDE CYP2F1, CYP4F3, CYP4F2 GABRP 558/4885GABRD 470/4885GABRA1 429/4885

“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.