SCHEMBL1703980

SCHEMBL1703980

CC(F)(F)c1csc(Cn2nc(C(N)=O)c(-c3nc(C(=O)O)c(-c4ccccc4)o3)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.35
IKBKB O14920 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FPR2 P25090 3/20 0.33
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
ADORA2A P29274 1/20 0.31
NR4A2 P43354 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
STAT1 P42224 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1703858 0.93 RAB9A (0.33) PTGER1IKBKBKDM4EFPR2
SCHEMBL1704592 0.92 FPR2 (0.37) PTGER1KDM4EFPR2ALDH1A1
SCHEMBL1703850 0.92 FPR2 (0.42) PTGER1FPR2NR4A2
SCHEMBL1704152 0.91 IKBKB (0.40) PTGER1IKBKBFPR2NR4A2
SCHEMBL1704018 0.90 IKBKB (0.43) IKBKBKDM4EHSD17B10FPR2ADORA2A
SCHEMBL1704368 0.90 LRRK2 (0.34) PTGER1FPR2
SCHEMBL2334798 0.85 PTGER1 (0.39) PTGER1IKBKBKDM4EPPARGNCOA2
SCHEMBL1704326 0.82 IKBKB (0.36) PTGER1IKBKBKDM4EPPARGNCOA2
SCHEMBL2332145 0.80 MMP1 (0.38) PTGER1IKBKBKDM4EALDH1A1
SCHEMBL2328798 0.79 PTGER1 (0.38) PTGER1IKBKBKDM4EFPR2ADORA2A

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 PTGER1 1354/4885IKBKB 4277/4885KDM4E 2828/4885

“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.