SCHEMBL141502

SCHEMBL141502

O=C(N[C@@H]1CCN(C(=O)O)[C@@]1(CO)Cc1ccccc1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
DPP4 P27487 1/20 0.42
KCNH2 Q12809 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
EPHX1 P07099 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CPB1 P15086 2/20 0.41
CYP2C19 P33261 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL140566 0.84 SYK (0.45) ALDH1A1GAATSHRCTSLCTSB
SCHEMBL144613 0.81 P2RX7 (0.41) ALDH1A1GAATSHR
SCHEMBL146869 0.73 ALDH1A1 (0.49) ALDH1A1GAATSHRCTSLCTSB
SCHEMBL21551011 0.73 ALDH1A1 (0.48) ALDH1A1GAATSHRCTSLCTSB
SCHEMBL16030831 0.72 ALDH1A1 (0.45) ALDH1A1GAATSHRCTSLCTSB
SCHEMBL24273691 0.71 CTSL (0.51) ALDH1A1GAATSHRCTSLCTSB
SCHEMBL17228339 0.71 ALDH1A1 (0.44) ALDH1A1GAATSHRCTSLCTSB
SCHEMBL761810 0.70 EPHX1 (0.54) ALDH1A1GAATSHRCTSLCTSB
SCHEMBL9994911 0.70 ALDH1A1 (0.47) ALDH1A1GAATSHRCTSLCTSB
SCHEMBL29888376 0.70 ALDH1A1 (0.45) ALDH1A1GAATSHRCTSLCTSB

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 938/4885TSHR 1182/4885

“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.