SCHEMBL806631

SCHEMBL806631

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 7/20 0.33
▸ PDE4B Q07343 3/20 0.33
▸ PDE4C Q08493 3/20 0.33
▸ PDE4D Q08499 3/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ PSMB8 P28062 1/20 0.32
▸ PSMB5 P28074 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 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
SCHEMBL17282907 0.87 GAA (0.33) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL14234967 0.87 GAA (0.33) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL14234456 0.87 GAA (0.33) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL806847 0.87 TUBB4A (0.33) POLB
SCHEMBL15279899 0.85 HDAC3 (0.38) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL806742 0.85 GAA (0.34) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL22275706 0.85 TP53 (0.32) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL806467 0.85 HDAC3 (0.38) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL15279895 0.83 HDAC3 (0.41) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL806630 0.83 HDAC3 (0.41) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377474-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-08-16 — — EP disclosed
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
EP-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 — — EP disclosed
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 (5 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 PDE4A 2107/4885PDE4B 2370/4885PDE4C 1922/4885
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC PDE4A 3273/4885PDE4B 3216/4885PDE4C 3147/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC PDE4A 3273/4885PDE4B 3216/4885PDE4C 3147/4885
US-20130281360-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS SPAST, NPEPPS, SPATS2L PDE4A 2107/4885PDE4B 2370/4885PDE4C 1922/4885
US-20160297851-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS SPAST, NPEPPS, SPATS2L PDE4A 2107/4885PDE4B 2370/4885PDE4C 1922/4885

“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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