SCHEMBL1673386

SCHEMBL1673386

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
BMP1 P13497 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
APP P05067 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 3/20 0.39
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
PTGS1 P23219 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CDC42 P60953 1/20 0.39
RAC1 P63000 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
RAB9A P51151 1/20 0.39
ACP3 P15309 1/20 0.38

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
SCHEMBL1673370 0.87 NPSR1 (0.43) ALOX5NPSR1BMP1SLC6A2SLC6A4
SCHEMBL28656346 0.79 NPSR1 (0.46) ALOX5NPSR1BMP1PTGS2AKR1C3
SCHEMBL836811 0.78 NPY5R (0.49) ALOX5NPSR1BMP1APPCYP2C19
SCHEMBL17603763 0.75 BMP1 (0.43) NPSR1BMP1KMT2AACP3L3MBTL1
SCHEMBL6349734 0.74 TAS1R3 (0.43) ALOX5NPSR1BMP1SLC6A2SLC6A4
SCHEMBL16991743 0.74 ALDH1A1 (0.49) NPSR1MEN1KMT2ACYP1A2RAB9A
SCHEMBL16991741 0.74 ALDH1A1 (0.49) NPSR1MEN1KMT2ACYP1A2RAB9A
SCHEMBL5862818 0.72 BMP1 (0.41) NPSR1BMP1KMT2AL3MBTL1ALDH1A1
SCHEMBL14860429 0.71 CYP1A2 (0.46) ALOX5NPSR1CYP2C19CYP1A2GRM8
SCHEMBL1282309 0.71 ADRB2 (0.42) SLC6A4CYP2C19MEN1KMT2ACYP1A2

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 ALOX5 858/4885NPSR1 3094/4885BMP1 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.