SCHEMBL836811

SCHEMBL836811

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 6/20 0.49
NPSR1 Q6W5P4 1/20 0.43
BMP1 P13497 1/20 0.41
ALOX5 P09917 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
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
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR88 Q9GZN0 1/20 0.39
ACP3 P15309 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
SCHEMBL836485 0.83 AOC3 (0.46) NPY5R
SCHEMBL836486 0.83 AOC3 (0.46) NPY5R
SCHEMBL20492448 0.83 ALDH1A1 (0.40) NPY5RALOX5AKR1C3AKR1C2
SCHEMBL7647994 0.83 NPY5R (0.46) NPY5RAPPCYP2C19
SCHEMBL5065151 0.83 KDM4E (0.55) NPY5RNPY2R
SCHEMBL14908702 0.83 KDM4E (0.55) NPY5RNPY2R
SCHEMBL5065158 0.83 KDM4E (0.55) NPY5RNPY2R
SCHEMBL1673370 0.82 NPSR1 (0.43) NPSR1BMP1ALOX5PTGS2AKR1C3
SCHEMBL14909184 0.82 KDM4E (0.39) NPSR1KMT2A
SCHEMBL20492498 0.82 ALOX5 (0.41) NPY5RALOX5CYP1A2MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
EP-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO 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-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 NPY5R 2310/4885NPSR1 1750/4885BMP1 2345/4885

“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.