SCHEMBL1673371

SCHEMBL1673371

COc1ccc([C@H](NC(=O)O)[C@@H](O)CC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
CNR2 P34972 3/20 0.44
GPR88 Q9GZN0 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC2A1 P11166 1/20 0.40
FFAR1 O14842 1/20 0.40
AOC3 Q16853 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
LDHA P00338 1/20 0.39
CNR1 P21554 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL15674956 0.85 GPR88 (0.50) NPSR1CNR2GPR88ALDH1A1FFAR1
SCHEMBL1673387 0.85 NPSR1 (0.47) NPSR1CNR2GPR88ALDH1A1AOC3
SCHEMBL517086 0.84 RIPK1 (0.41) LMNAMAPTTP53
SCHEMBL836812 0.81 NPSR1 (0.48) NPSR1CNR2GPR88ALDH1A1AOC3
SCHEMBL16164204 0.81 NPSR1 (0.49) NPSR1CNR2GPR88ALDH1A1AOC3
SCHEMBL1443078 0.79 KMT2A (0.47) NPSR1CNR2GPR88ALDH1A1L3MBTL1
SCHEMBL15674962 0.76 CNR2 (0.41) NPSR1CNR2GPR88ALDH1A1L3MBTL1
SCHEMBL1442862 0.75 GPR88 (0.48) NPSR1CNR2GPR88ALDH1A1TP53
SCHEMBL17935535 0.74 ABCB1 (0.48) NPSR1CNR2GPR88ALDH1A1SLC2A1
SCHEMBL15101521 0.71 ALDH1A1 (0.50) CNR2ALDH1A1SMN1; SMN2LDHAKMT2A

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-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 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-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS NPSR1 3094/4885CNR2 2749/4885GPR88 1678/4885

“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.