SCHEMBL144742

SCHEMBL144742

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.42
NAAA Q02083 1/20 0.39
ADAM17 P78536 3/20 0.38
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3402984 0.91 GRIN2B (0.42) GRIN2BNAAAADAM17MMP1MMP9
SCHEMBL143089 0.91 GRIN2B (0.42) GRIN2BNAAAADAM17MMP1MMP9
SCHEMBL3400543 0.84 GRIN2B (0.43) GRIN2BNAAAADAM17
SCHEMBL142211 0.84 GRIN2B (0.43) GRIN2BNAAAADAM17
SCHEMBL16403229 0.84 ALDH1A1 (0.35) GRIN2BMMP1KDM4EALDH1A1
SCHEMBL145242 0.82 GRIN2B (0.45) GRIN2BNAAAADAM17
SCHEMBL145119 0.81 GRIN2B (0.43) GRIN2BNAAAADAM17
SCHEMBL22776384 0.80 ABCB1 (0.39) GRIN2B
SCHEMBL141076 0.79 GRIN2B (0.42) GRIN2BNAAAADAM17KDM4EALDH1A1
SCHEMBL146713 0.75 GRIN2B (0.33) GRIN2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US 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 679/4885ADAM17 3161/4885

“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.