SCHEMBL12080331

SCHEMBL12080331

CC(=O)c1ccn(C(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
PLAU P00749 3/20 0.39
ELANE P08246 3/20 0.39
F2 P00734 2/20 0.39
KLKB1 P03952 1/20 0.39
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
MAP4K4 O95819 2/20 0.33
ABL1 P00519 2/20 0.33
MAPK8 P45983 2/20 0.33
TYRO3 Q06418 2/20 0.33
LRRK2 Q5S007 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33

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
SCHEMBL17489137 0.75 ALOX15 (0.50) ALOX15PLAUELANEF2KLKB1
SCHEMBL22190961 0.74 HPGDS (0.39) PLAUELANEF2KLKB1ALDH1A1
SCHEMBL2629340 0.74
SCHEMBL11244665 0.73 ALOX15 (0.34) ALOX15PLAUELANEF2KLKB1
SCHEMBL11244676 0.73 ALOX15 (0.34) ALOX15PLAUELANEF2KLKB1
Hydrochloric Acid SCHEMBL11557202 0.72 NOS1 (0.53) PLAUELANEF2KLKB1ALDH1A1
SCHEMBL25097166 0.71 KDM4C (0.59) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL4473648 0.71 MAPT (0.58) ALDH1A1MAPTSMN1; SMN2NPC1HTT
SCHEMBL23320098 0.70
SCHEMBL1044057 0.70

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-8975254-B2 Androgen receptor modulating compounds ORION CORPORATION (FI) 2015-03-10 US disclosed
US-20120225867-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2012-09-06 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-20120225867-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS AR, NR5A1, SHBG ALOX15 2518/4885PLAU 2596/4885ELANE 4252/4885

“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.