SCHEMBL141806

SCHEMBL141806

CCc1c(C(=O)O)c(=O)c2cc(F)c(F)c(C#CCC3CCCN3C(=O)OC(C)(C)C)c2n1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.35
FEN1 P39748 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RIPK1 Q13546 1/20 0.32
APP P05067 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A2 P23975 1/20 0.32
HRH2 P25021 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
SCHEMBL143342 1.00 ALOX5AP (0.35) ALOX5APFEN1ALDH1A1KDM4EMEN1
SCHEMBL1516394 0.93 ALOX5AP (0.34) ALOX5APFEN1ALDH1A1KDM4EMEN1
SCHEMBL145194 0.88 CYP1A2 (0.31)
SCHEMBL147195 0.88 CYP1A2 (0.31)
SCHEMBL143169 0.87 KDM4E (0.30) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL141217 0.87 KDM4E (0.30) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL143671 0.85 JAK2 (0.31) KMT2A
SCHEMBL140445 0.85 JAK2 (0.31) KMT2A
SCHEMBL139826 0.85 JAK2 (0.31) KMT2A
SCHEMBL146241 0.85 JAK2 (0.31) KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
EP-2250171-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS Achaogen, Inc. (US) 2010-11-17 EP disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 ALOX5AP 1964/4885FEN1 785/4885ALDH1A1 1678/4885

“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.