SCHEMBL806768

SCHEMBL806768

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 4/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ PDE4B Q07343 6/20 0.32
▸ PDE4A P27815 4/20 0.32
▸ PDE4C Q08493 3/20 0.32
▸ PDE4D Q08499 3/20 0.32

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
SCHEMBL15253619 0.89 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22275625 0.87 TP53 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14234967 0.87 GAA (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17282907 0.87 GAA (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14234456 0.87 GAA (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26481205 0.86 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23605410 0.85 PDE4A (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL806691 0.83 GAA (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15259060 0.82 PDE4B (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15727144 0.82 PDE4B (0.34) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 — — US disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 — — US disclosed
US-20160297851-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2016-10-13 — — US disclosed
US-9309285-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2016-04-12 — — 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-20140142029-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2014-05-22 — — 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
US-20130244929-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS MERCK SHARP & DOHME CORP. 2013-09-19 — — US 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 (7 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-20140142029-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC HDAC3 2211/4885HDAC4 3556/4885HDAC1 1081/4885
US-20150045286-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS SPAST, NPEPPS, SPATS2L HDAC3 2912/4885HDAC4 3043/4885HDAC1 2607/4885
US-20130244929-A1 BRIDGED LIPOGLYCOPEPTIDES THAT POTENTIATE THE ACTIVITY OF BETA-LACTAM ANTIBACTERIALS SPPL2B, ENGASE, PEPD HDAC3 3921/4885HDAC4 3064/4885HDAC1 2256/4885
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC HDAC3 2211/4885HDAC4 3556/4885HDAC1 1081/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC HDAC3 2211/4885HDAC4 3556/4885HDAC1 1081/4885
US-20130281360-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS SPAST, NPEPPS, SPATS2L HDAC3 2912/4885HDAC4 3043/4885HDAC1 2607/4885
US-20160297851-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS SPAST, NPEPPS, SPATS2L HDAC3 2912/4885HDAC4 3043/4885HDAC1 2607/4885

“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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