SCHEMBL1704152

SCHEMBL1704152

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.40
FPR2 P25090 5/20 0.37
MDM2 Q00987 4/20 0.34
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
NR4A2 P43354 1/20 0.34
SLC9A1 P19634 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGER1 P34995 1/20 0.33
PIN1 Q13526 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PTPN11 Q06124 1/20 0.32
PKM P14618 1/20 0.32
ATM Q13315 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
SCHEMBL1703850 0.91 FPR2 (0.42) FPR2RXRARXRBRXRGNR4A2
SCHEMBL1704592 0.91 FPR2 (0.37) FPR2SLC9A1PTGER1PIN1PTPN11
SCHEMBL1703980 0.91 PTGER1 (0.35) IKBKBFPR2NR4A2PTGER1
SCHEMBL1704018 0.89 IKBKB (0.43) IKBKBFPR2RXRARXRBKMT2A
SCHEMBL1704368 0.89 LRRK2 (0.34) FPR2PTGER1
SCHEMBL2329257 0.87 IKBKB (0.43) IKBKBFPR2MDM2RXRARXRB
SCHEMBL1703858 0.86 RAB9A (0.33) IKBKBFPR2PTGER1
SCHEMBL1704456 0.84 IKBKB (0.41) IKBKBFPR2MDM2RXRARXRB
SCHEMBL2330747 0.80 IKBKB (0.44) IKBKBMDM2RXRARXRBRXRG
SCHEMBL2328798 0.79 PTGER1 (0.38) IKBKBFPR2SLC9A1PTGER1PTPN11

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 IKBKB 4277/4885FPR2 217/4885MDM2 1482/4885

“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.