SCHEMBL1704477

SCHEMBL1704477

CC(F)(F)c1ccc(Cn2nc(C(N)=O)c(-c3nc(C(=O)O)c(-c4cccc(F)c4)o3)n2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.35
SLC9A1 P19634 1/20 0.34
PIN1 Q13526 1/20 0.32
NR4A1 P22736 1/20 0.32
NR4A2 P43354 1/20 0.32
NR4A3 Q92570 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KDR P35968 1/20 0.32
HPN P05981 1/20 0.32
NQO2 P16083 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CSNK1E P49674 3/20 0.32
CSNK1D P48730 2/20 0.32
PTPN11 Q06124 2/20 0.32
PTGER1 P34995 1/20 0.32
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
MCTS1 Q9ULC4 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL2131687 0.92 FPR2 (0.39) FPR2SLC9A1PIN1NR4A2KDM4E
SCHEMBL1704326 0.91 IKBKB (0.36) NR4A1NR4A2NR4A3KDM4EALDH1A1
SCHEMBL1704456 0.91 IKBKB (0.41) FPR2SLC9A1PIN1NR4A2KDR
SCHEMBL1704482 0.90 MAPK14 (0.34) FPR2KDM4EALDH1A1
SCHEMBL1703783 0.90 LRRK2 (0.35) FPR2SMN1; SMN2SLC16A3SLC16A1MCTS1
SCHEMBL1704159 0.90 IKBKB (0.44) FPR2PIN1KDM4EALDH1A1
SCHEMBL2332690 0.87 NR4A1 (0.37) SLC9A1PIN1NR4A1NR4A2NR4A3
SCHEMBL1704592 0.84 FPR2 (0.37) FPR2SLC9A1PIN1KDM4EALDH1A1
SCHEMBL2327822 0.82 TRPM8 (0.36) FPR2SLC9A1PIN1KDM4EALDH1A1
SCHEMBL2328798 0.79 PTGER1 (0.38) FPR2SLC9A1KDM4EALDH1A1SMN1; SMN2

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
US-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US claimed
EP-2440555-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 EP 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 FPR2 217/4885SLC9A1 2771/4885PIN1 4130/4885

“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.