SCHEMBL1704326

SCHEMBL1704326

CC(F)(F)c1ccc(Cn2nc(C(N)=O)c(-c3nc(C(=O)O)c(-c4ccccc4)o3)n2)o1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA2A P29274 1/20 0.34
NR4A2 P43354 6/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NR4A1 P22736 1/20 0.31
NR4A3 Q92570 1/20 0.31
RXRA P19793 2/20 0.31
GAA P10253 1/20 0.31
PTGER1 P34995 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL1704482 0.93 MAPK14 (0.34) IKBKBKDM4EALDH1A1
SCHEMBL2131687 0.91 FPR2 (0.39) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL1704477 0.91 FPR2 (0.35) KDM4ENR4A2ALDH1A1NR4A1NR4A3
SCHEMBL1704456 0.91 IKBKB (0.41) IKBKBNR4A2RXRAPTGER1
SCHEMBL1703783 0.89 LRRK2 (0.35)
SCHEMBL1704159 0.89 IKBKB (0.44) IKBKBKDM4EHSD17B10ADORA2AALDH1A1
SCHEMBL2323238 0.85 IKBKB (0.40) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2328489 0.83 IKBKB (0.36) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL1703980 0.82 PTGER1 (0.35) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2333861 0.80 IKBKB (0.38) IKBKBKDM4EPPARGNCOA2HSD17B10

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-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US claimed
US-8580831-B2 Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US disclosed
EP-2440555-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 EP 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-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES AFF1, SULT2A1, NAT1 IKBKB 4277/4885KDM4E 2828/4885PPARG 1505/4885

“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.