SCHEMBL141501

SCHEMBL141501

O=C(N[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1CO)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52
TSHR P16473 1/20 0.51
CPB1 P15086 2/20 0.49
EPHX1 P07099 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HSD11B1 P28845 1/20 0.47
DPP4 P27487 1/20 0.47
KCNH2 Q12809 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
KLK7 P49862 1/20 0.46
CYP2C19 P33261 1/20 0.46
TLR4 O00206 1/20 0.46

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
SCHEMBL25319071 0.91 ALDH1A1 (0.51) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL2185018 0.89 KMT2A (0.48) CTSLSMN1; SMN2NPC1RAB9A
SCHEMBL25907337 0.89 ALDH1A1 (0.47) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL13626261 0.85 ALDH1A1 (0.46) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL25320570 0.83 ALDH1A1 (0.48) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL140565 0.83 SYK (0.46) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL34466985 0.82 L3MBTL1 (0.49) CTSLCTSKTSHRKLK7
SCHEMBL23971172 0.82 L3MBTL1 (0.49) CTSLCTSKTSHRKLK7
SCHEMBL28950438 0.82 L3MBTL1 (0.49) CTSLCTSKTSHRKLK7
SCHEMBL13626259 0.82 CPB1 (0.57) 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 2 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
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 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.