SCHEMBL145242

SCHEMBL145242

COc1ccc(CO[C@H]2CN(C(=O)O)[C@@](CO)(Cc3ccccc3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.45
NAAA Q02083 1/20 0.40
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ADAM17 P78536 2/20 0.39
HCRTR2 O43614 1/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
S1PR5 Q9H228 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL145119 0.92 GRIN2B (0.43) GRIN2BNAAAADAM17
SCHEMBL3400543 0.89 GRIN2B (0.43) GRIN2BNAAAADAM17S1PR5
SCHEMBL142211 0.89 GRIN2B (0.43) GRIN2BNAAAADAM17S1PR5
SCHEMBL141076 0.88 GRIN2B (0.42) GRIN2BNAAACHRM5CHRM1CHRM3
SCHEMBL16402974 0.83 GRIN2B (0.36) GRIN2B
SCHEMBL6319951 0.83 GRIN2B (0.39) GRIN2B
SCHEMBL144742 0.82 GRIN2B (0.42) GRIN2BNAAAADAM17
SCHEMBL143089 0.82 GRIN2B (0.42) GRIN2BNAAAADAM17TSHR
SCHEMBL3402984 0.82 GRIN2B (0.42) GRIN2BNAAAADAM17TSHR
SCHEMBL22776873 0.80 ABCB1 (0.39) GRIN2BGAA

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 GRIN2B 2496/4885NAAA 679/4885CHRM5 807/4885

“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.