SCHEMBL141512

SCHEMBL141512

CCC(NC1CC1)=C(C(=O)O)C(=O)c1ccc(F)c(OC)c1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.35
CNR2 P34972 10/20 0.35
MEP1B Q16820 1/20 0.34
PDE4B Q07343 1/20 0.34
CRBN Q96SW2 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ADRA2A P08913 1/20 0.33
MCHR1 Q99705 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL23620717 0.77 HPGD (0.43)
SCHEMBL1476095 0.77 MEP1B (0.34) MEP1BCES2CES1
SCHEMBL9842861 0.75 CRBN (0.36) CNR1CNR2CRBNKDM4EPKM
SCHEMBL5177356 0.74 MEN1 (0.32)
SCHEMBL6167819 0.72 KEAP1 (0.45) CNR1CNR2PDE4B
SCHEMBL116279 0.70 MAPT (0.36) MEP1BKDM4ECES2CES1
SCHEMBL141511 0.70 MAPT (0.36) MEP1BKDM4ECES2CES1
SCHEMBL6233921 0.70 MAPT (0.36) MEP1BKDM4ECES2CES1
SCHEMBL27581775 0.69 MEP1B (0.43) MEP1BCES2CES1
SCHEMBL10423017 0.68 ALDH1A1 (0.40) KDM4E

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 CNR1 2761/4885CNR2 3963/4885MEP1B 2142/4885

“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.