SCHEMBL1673370

SCHEMBL1673370

COc1ccc([C@@H]([C@H](C)O)N(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
BMP1 P13497 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ALOX5 P09917 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS2 P35354 3/20 0.40
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
PTGS1 P23219 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CDC42 P60953 1/20 0.40
RAC1 P63000 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
APP P05067 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
SCHEMBL1673386 0.87 ALOX5 (0.43) NPSR1L3MBTL1BMP1ALDH1A1ALOX5
SCHEMBL517085 0.83 AOC3 (0.40) ALDH1A1ALOX5SLC6A4MEN1KMT2A
SCHEMBL17076303 0.83 AOC3 (0.40) ALDH1A1ALOX5SLC6A4MEN1KMT2A
SCHEMBL836811 0.82 NPY5R (0.49) NPSR1BMP1ALOX5PTGS2AKR1C3
SCHEMBL28656346 0.80 NPSR1 (0.46) NPSR1L3MBTL1BMP1ALDH1A1ALOX5
SCHEMBL17603763 0.77 BMP1 (0.43) NPSR1L3MBTL1BMP1ALDH1A1KMT2A
SCHEMBL6349734 0.75 TAS1R3 (0.43) NPSR1L3MBTL1BMP1ALDH1A1ALOX5
SCHEMBL16991743 0.75 ALDH1A1 (0.49) NPSR1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL16991741 0.75 ALDH1A1 (0.49) NPSR1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5862818 0.73 BMP1 (0.41) NPSR1L3MBTL1BMP1ALDH1A1KMT2A

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 3094/4885L3MBTL1 3205/4885BMP1 3133/4885

“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.