SCHEMBL13601513

SCHEMBL13601513

Cc1nc(-c2ccc(CO)c(CO)c2)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
S1PR1 P21453 1/20 0.48
PLK1 P53350 1/20 0.48
LMNA P02545 3/20 0.47
RAB9A P51151 2/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MAPK14 Q16539 2/20 0.44
NOTUM Q6P988 2/20 0.44
SPHK2 Q9NRA0 1/20 0.44
GSK3B P49841 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
AOC3 Q16853 2/20 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
SCHEMBL20486478 0.89 S1PR1 (0.60) L3MBTL1S1PR1PLK1LMNARAB9A
SCHEMBL13601516 0.82 L3MBTL1 (0.59) L3MBTL1S1PR1PLK1LMNARAB9A
SCHEMBL856937 0.78 PLK1 (0.55) L3MBTL1S1PR1PLK1LMNARAB9A
SCHEMBL13415301 0.76 L3MBTL1 (0.69) L3MBTL1PLK1LMNARAB9ATSHR
SCHEMBL19728838 0.76 L3MBTL1 (0.56) L3MBTL1PLK1LMNARAB9ATSHR
SCHEMBL1300632 0.76 L3MBTL1 (0.70) L3MBTL1S1PR1RAB9ATSHRNOTUM
SCHEMBL4498851 0.76 S1PR1 (0.56) S1PR1RAB9ANFKB1NFKB2RELA
SCHEMBL7453298 0.75 L3MBTL1 (0.54) L3MBTL1S1PR1PLK1LMNARAB9A
SCHEMBL14810779 0.75 RXRA (0.50) L3MBTL1S1PR1PLK1LMNARAB9A
SCHEMBL7441070 0.75 PLK1 (0.49) L3MBTL1PLK1LMNARAB9ATSHR

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-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 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-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 L3MBTL1 1050/4885S1PR1 1/4885PLK1 466/4885

“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.