SCHEMBL143557

SCHEMBL143557

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.42
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
LDHA P00338 1/20 0.34
TUBB1 Q9H4B7 2/20 0.34
STING1 Q86WV6 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
HIF1A Q16665 1/20 0.32
MDM2 Q00987 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
SCHEMBL1344860 0.82 STING1 (0.36) CES2CES1LDHASTING1AKR1C3
SCHEMBL10564415 0.80 CES2 (0.38) CES2CES1AKR1C3AKR1C2MDM2
SCHEMBL606872 0.77 TDP1 (0.49) MEP1BCES2CES1TUBB1MAPT
SCHEMBL1344665 0.77 STING1 (0.36) MEP1BTUBB1STING1AKR1C3AKR1C2
SCHEMBL27581775 0.76 MEP1B (0.43) MEP1BCES2CES1TUBB1HIF1A
SCHEMBL27876515 0.75 CES2 (0.48) MEP1BCES2CES1
SCHEMBL116280 0.74 CES2 (0.45) MEP1BCES2CES1TUBB1MAPT
SCHEMBL3573736 0.74 TSHR (0.49) MEP1BCES2CES1MAPTTDP1
SCHEMBL1345064 0.73 CES2 (0.36) CES2CES1AKR1C3AKR1C2TDP1
SCHEMBL24918 0.73 CES2 (0.44) MEP1BCES2CES1TUBB1MAPT

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 MEP1B 2142/4885CES2 1652/4885CES1 1025/4885

“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.