SCHEMBL806691

SCHEMBL806691

COC(=O)[C@@H]1Cc2ccc(OC)c(c2)-c2cc(ccc2OC)[C@H](N(C)C(=O)CN)C(=O)N[C@@H](C)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.33
▸ 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
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31

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
SCHEMBL23736080 0.93 HDAC3 (0.34) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL15344705 0.92 — —
SCHEMBL15727144 0.89 PDE4B (0.34) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL26481205 0.89 HDAC3 (0.33) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL806626 0.88 CCNT1 (0.33) PDE4B
SCHEMBL15344732 0.88 TUBB4A (0.30) —
SCHEMBL14234971 0.87 PDE4A (0.33) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL23736038 0.85 IARS1 (0.31) —
SCHEMBL806768 0.83 HDAC3 (0.33) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL15727211 0.82 CCNT1 (0.35) PDE4B

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 7 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
WO-2014081886-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2014-05-30 — — WO 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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