SCHEMBL1704592

SCHEMBL1704592

CC(F)(F)c1csc(Cn2nc(C(N)=O)c(-c3nc(C(=O)O)c(-c4cccc(F)c4)o3)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGER1 P34995 3/20 0.34
SLC9A1 P19634 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPN11 Q06124 3/20 0.33
LRRK2 Q5S007 1/20 0.32
ALOX5 P09917 1/20 0.32
KCNH2 Q12809 1/20 0.32
PIN1 Q13526 1/20 0.32
KDR P35968 1/20 0.31
GRM2 Q14416 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1E P49674 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
SCHEMBL1703850 0.92 FPR2 (0.42) FPR2PTGER1SLC9A1PIN1
SCHEMBL1703980 0.92 PTGER1 (0.35) FPR2KDM4EALDH1A1PTGER1
SCHEMBL1704152 0.91 IKBKB (0.40) FPR2PTGER1SLC9A1PTPN11PIN1
SCHEMBL1703858 0.90 RAB9A (0.33) FPR2KDM4EPTGER1
SCHEMBL1704018 0.90 IKBKB (0.43) FPR2KDM4EALDH1A1PIN1
SCHEMBL1704368 0.90 LRRK2 (0.34) FPR2PTGER1SMN1; SMN2LRRK2
SCHEMBL2328798 0.88 PTGER1 (0.38) FPR2KDM4EALDH1A1PTGER1SLC9A1
SCHEMBL1704477 0.84 FPR2 (0.35) FPR2KDM4EALDH1A1PTGER1SLC9A1
SCHEMBL2327822 0.80 TRPM8 (0.36) FPR2KDM4EALDH1A1PTGER1SLC9A1
SCHEMBL2332690 0.79 NR4A1 (0.37) KDM4EALDH1A1SLC9A1SMN1; SMN2PIN1

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 217/4885KDM4E 2828/4885ALDH1A1 235/4885

“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.