SCHEMBL806742

SCHEMBL806742

CN[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)OC)Cc2ccc(OC)c(c2)-c2cc1ccc2OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.34
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ TP53 P04637 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PDE4A P27815 4/20 0.30

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
SCHEMBL14234967 0.88 GAA (0.33) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL17282907 0.88 GAA (0.33) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL14234456 0.88 GAA (0.33) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL806786 0.86 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22275706 0.85 TP53 (0.32) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL15279899 0.85 HDAC3 (0.38) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL806467 0.85 HDAC3 (0.38) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL806631 0.85 PDE4A (0.33) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL15279895 0.84 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL806630 0.84 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160297851-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2016-10-13 — — US disclosed
US-9187524-B2 Broad spectrum antibiotic arylomycin analogs THE SCRIPPS RESEARCH INSTITUTE (US) 2015-11-17 — — US disclosed
US-20150045286-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2015-02-12 — — US disclosed
US-20130281360-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS THE SCIPPS RESEARCH INSTITUTE (US) 2013-10-24 — — US disclosed
WO-2013138187-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-19 — — WO disclosed
WO-2012036907-A2 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS ROMESBERG FLOYD E (US) 2012-03-22 — — 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 (3 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-20150045286-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS SPAST, NPEPPS, SPATS2L GAA 259/4885HDAC3 2912/4885HDAC4 3043/4885
US-20130281360-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS SPAST, NPEPPS, SPATS2L GAA 259/4885HDAC3 2912/4885HDAC4 3043/4885
US-20160297851-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS SPAST, NPEPPS, SPATS2L GAA 259/4885HDAC3 2912/4885HDAC4 3043/4885

“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.

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