SCHEMBL14005607

SCHEMBL14005607

O=C(N[C@H](CO)Cc1ccccc1)c1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.56
CYP3A4 P08684 1/20 0.56
ROCK2 O75116 3/20 0.54
ROCK1 Q13464 3/20 0.54
RPS6KA5 O75582 2/20 0.54
RPS6KA4 O75676 2/20 0.54
PRKACA P17612 2/20 0.54
GSK3B P49841 2/20 0.54
PRKX P51817 2/20 0.54
PRKG1 Q13976 2/20 0.54
CLK4 Q9HAZ1 2/20 0.54
GSK3A P49840 1/20 0.54
IRAK1 P51617 1/20 0.54
PKN2 Q16513 1/20 0.54
SGK2 Q9HBY8 1/20 0.54
LIMK1 P53667 1/20 0.53
HPGD P15428 4/20 0.51
HSD17B10 Q99714 4/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 3/20 0.51

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
SCHEMBL27822275 0.87 KDM4E (0.56) MAPK1HPGDHSD17B10ALDH1A1KDM4E
SCHEMBL2466551 0.86 MAPK1 (0.52) MAPK1CYP3A4ROCK2ROCK1RPS6KA5
SCHEMBL7787024 0.84 BACE1 (0.58) MAPK1CYP3A4ROCK2ROCK1RPS6KA5
SCHEMBL7383027 0.84 MAPK1 (0.55) MAPK1CYP3A4ROCK2ROCK1RPS6KA5
SCHEMBL7381726 0.84 BACE1 (0.58) MAPK1CYP3A4ROCK2ROCK1RPS6KA5
SCHEMBL7782099 0.84 MAPK1 (0.55) MAPK1CYP3A4ROCK2ROCK1RPS6KA5
SCHEMBL7787779 0.82 CAPN1 (0.65) MAPK1CYP3A4ROCK2ROCK1RPS6KA5
SCHEMBL7789809 0.82 CAPN1 (0.65) MAPK1CYP3A4ROCK2ROCK1RPS6KA5
SCHEMBL7372187 0.82 CAPN1 (0.65) MAPK1CYP3A4ROCK2ROCK1RPS6KA5
SCHEMBL7372990 0.82 CAPN1 (0.65) MAPK1CYP3A4ROCK2ROCK1RPS6KA5

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-20080280920-A1 Plasminogen Activator Inhibitor-1 Inhibitors AMERICAN DIAGNOSTICA INC. 2008-11-13 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-20080280920-A1 Plasminogen Activator Inhibitor-1 Inhibitors SERPINE1, SERPINC1, SERPINB1 MAPK1 1678/4885CYP3A4 2560/4885ROCK2 4035/4885

“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.