SCHEMBL116041

SCHEMBL116041

COc1ccc(CO[C@@H]2C[C@@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.48
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MMP9 P14780 4/20 0.46
MMP1 P03956 3/20 0.46
MMP3 P08254 3/20 0.46
MMP7 P09237 2/20 0.46
TP53 P04637 1/20 0.46
MMP13 P45452 1/20 0.46
FABP7 O15540 1/20 0.45
FABP5 Q01469 1/20 0.45
P2RX4 Q99571 1/20 0.45
POLB P06746 1/20 0.43
BDKRB2 P30411 1/20 0.43
ADAM17 P78536 1/20 0.42
ADAM9 Q13443 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
MMP2 P08253 1/20 0.42

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
SCHEMBL6515997 0.91 AGTR2 (0.56) AGTR2POLBBDKRB2
SCHEMBL6281354 0.91 AGTR2 (0.56) AGTR2POLBBDKRB2
SCHEMBL15241314 0.91 AGTR2 (0.56) AGTR2POLBBDKRB2
SCHEMBL29921 0.91 AGTR2 (0.56) AGTR2POLBBDKRB2
SCHEMBL26694792 0.86 NAAA (0.46) AGTR2ALDH1A1FABP7FABP5POLB
SCHEMBL116032 0.86 BDKRB2 (0.47) ALDH1A1NPSR1MMP9MMP1MMP3
SCHEMBL116053 0.86 ALDH1A1 (0.46) ALDH1A1NPSR1MMP9MMP1MMP3
SCHEMBL3398953 0.86 ALDH1A1 (0.46) ALDH1A1NPSR1MMP9MMP1MMP3
SCHEMBL8860726 0.85 AGTR2 (0.46) AGTR2NPSR1POLB
SCHEMBL20446568 0.85 AGTR2 (0.47) AGTR2POLB

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 6 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
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
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
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 AGTR2 768/4885ALDH1A1 1678/4885NPSR1 2407/4885

“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.