SCHEMBL16739181

SCHEMBL16739181

COC(=O)C1Cc2c(ccc([N+](=O)[O-])c2O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.51
AGTR2 P50052 1/20 0.42
HDAC8 Q9BY41 8/20 0.41
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
UCHL1 P09936 1/20 0.36
NPC1 O15118 1/20 0.36
ESR2 Q92731 1/20 0.35

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
SCHEMBL3433731 0.87 AGTR2 (0.43) PTPN1AGTR2
SCHEMBL23315195 0.84 PTPN1 (0.55) PTPN1HDAC8NR1H2NR1H3
SCHEMBL21881597 0.83 PTPN1 (0.54) PTPN1HDAC8NR1H2NR1H3
SCHEMBL12849136 0.80 PTPN1 (0.54) PTPN1HDAC8NR1H2NR1H3
SCHEMBL539738 0.80 PTPN1 (0.54) PTPN1HDAC8NR1H2NR1H3
SCHEMBL540106 0.79 PTPN1 (0.51) PTPN1AGTR2HDAC8NR1H2NR1H3
SCHEMBL6392086 0.79 PTPN1 (0.63) PTPN1AGTR2HDAC8
SCHEMBL21881601 0.78 PTPN1 (0.53) PTPN1HDAC8NR1H2NR1H3UCHL1
SCHEMBL3697808 0.78 PTPN1 (0.53) PTPN1HDAC8NR1H2NR1H3UCHL1
SCHEMBL30471818 0.75 PTPN1 (0.53) PTPN1AGTR2HDAC8NR1H2NR1H3

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-9175003-B2 Substituted azoanthracene derivatives and intermediates for preparation thereof VTV THERAPEUTICS LLC (US) 2015-11-03 US disclosed
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof VTV THERAPEUTICS LLC 2015-05-28 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-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 PTPN1 534/4885AGTR2 150/4885HDAC8 695/4885

“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.