SCHEMBL146869

SCHEMBL146869

O=C(N[C@@H]1CN(C(=O)O)[C@@](CO)(Cc2ccccc2)C1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
TSHR P16473 1/20 0.47
EPHX1 P07099 1/20 0.45
DPP4 P27487 5/20 0.43
DPP7 Q9UHL4 5/20 0.43
TGM2 P21980 4/20 0.43
F13A1 P00488 3/20 0.43
TGM1 P22735 3/20 0.43
HSD11B1 P28845 1/20 0.42
KCNH2 Q12809 3/20 0.42
ENPP2 Q13822 1/20 0.42
ATXN2 Q99700 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CPB1 P15086 1/20 0.41

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
SCHEMBL141505 0.84 SYK (0.45) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL143841 0.81 ALDH1A1 (0.48) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL140116 0.81 TGM2 (0.44) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL21110979 0.80 ALDH1A1 (0.51) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL15415329 0.79 ALDH1A1 (0.50) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL20479732 0.78 TSHR (0.50) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL16512974 0.76 ALDH1A1 (0.60) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL1441748 0.74 ALDH1A1 (0.59) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL6319951 0.74 GRIN2B (0.39) ALDH1A1MEN1KMT2A
SCHEMBL141502 0.73 ALDH1A1 (0.49) ALDH1A1GAACTSLCTSBCTSK

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 ALDH1A1 1678/4885GAA 938/4885CTSL 1109/4885

“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.