SCHEMBL6529124

SCHEMBL6529124

CCCCCn1nc(C#N)c([S+]([O-])C(F)(F)F)c1N

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32

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
SCHEMBL6529244 0.76 KDM4E (0.33) KDM4EALDH1A1GLAPOLBGAA
SCHEMBL1075720 0.73 ALDH1A1 (0.37) KDM4EALDH1A1GLAPOLBGAA
SCHEMBL693498 0.73 ALDH1A1 (0.37) KDM4EALDH1A1GLAPOLBGAA
SCHEMBL693077 0.71 GRK6 (0.36) KDM4EALDH1A1GLAPOLBGAA
SCHEMBL3781653 0.71 ALDH1A1 (0.36) KDM4EALDH1A1GLAPOLBGAA
SCHEMBL678091 0.66 GABRP (0.46)
SCHEMBL7089484 0.65 GABRP (0.47)
SCHEMBL3777245 0.64 ALDH1A1 (0.33) KDM4EALDH1A1GLAPOLBGAA
SCHEMBL1074632 0.63 KDR (0.33) ALDH1A1
SCHEMBL5282197 0.63 SLC9A1 (0.39) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881848-B2 Process for preparing 4-trifluoromethylsulfinylpyrazole derivative BASF Agro B.V. Arnhem (NL), Wädenswil-Branch (CH) 2005-04-19 US disclosed
EP-1222173-B1 PROCESS FOR PREPARING 4-TRIFLUOROMETHYLSULPHINYLPYRAZOLE DERIVATIVE BAYER CROPSCIENCE SA (FR) 2004-08-18 EP disclosed
US-20040034234-A1 Process for preparing 4-trifluoromethylsulfinylpyrazole derivative BASF AGRO B.V., ARNHEM (NL), WADENSWIL-BRANCH (CH) 2004-02-19 US disclosed
US-6620943-B1 Oxidation of 5-amino-1-(2,6-dichloro-4-trifluoromethylphenyl) -3-cyano-4-trifluoromethylthiopyrazole with trifluoroperacetic acid in the presence of boric acid to form fipronil, used as pesticides BAYER CROPSCIENCE SA (FR) 2003-09-16 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 (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-20040034234-A1 Process for preparing 4-trifluoromethylsulfinylpyrazole derivative CYP2F1, CYP4F2, F12 KDM4E 3990/4885ALDH1A1 346/4885GLA 3208/4885

“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.