SCHEMBL806697

SCHEMBL806697

COCCC[C@H](N)C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 2/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ZDHHC7 Q9NXF8 1/20 0.36
LTA4H P09960 2/20 0.35
DPP7 Q9UHL4 1/20 0.35
SLC15A1 P46059 1/20 0.35
NOD1 Q9Y239 1/20 0.35
RECQL P46063 1/20 0.34
GSR P00390 1/20 0.33
SLC1A1 P43005 1/20 0.33

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
SCHEMBL7365991 0.94 DDAH1 (0.41) DDAH1CA1CA2TSHRALDH1A1
SCHEMBL6983472 0.87 SLC1A1 (0.39) DDAH1CA1CA2ZDHHC7LTA4H
SCHEMBL8348754 0.87 SLC1A1 (0.39) DDAH1CA1CA2ZDHHC7LTA4H
SCHEMBL23419880 0.87 SLC1A1 (0.39) DDAH1CA1CA2ZDHHC7LTA4H
SCHEMBL9383516 0.87 CA1 (0.43) DDAH1CA1CA2ZDHHC7LTA4H
SCHEMBL16330498 0.87 ZDHHC7 (0.45) DDAH1CA1CA2TSHRZDHHC7
Hydrochloric Acid SCHEMBL29262795 0.85 SLC1A1 (0.38) DDAH1CA1CA2ALDH1A1ZDHHC7
Hydrochloric Acid SCHEMBL29262798 0.85 SLC1A1 (0.38) DDAH1CA1CA2ALDH1A1ZDHHC7
Hydrochloric Acid SCHEMBL9383511 0.85 CA1 (0.42) DDAH1CA1CA2ALDH1A1ZDHHC7
Hydrochloric Acid SCHEMBL3623148 0.85 CA1 (0.42) DDAH1CA1CA2ALDH1A1ZDHHC7

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 DDAH1 2586/4885CA1 4844/4885CA2 4718/4885
US-20130281360-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS SPAST, NPEPPS, SPATS2L DDAH1 2586/4885CA1 4844/4885CA2 4718/4885
US-20160297851-A1 BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS SPAST, NPEPPS, SPATS2L DDAH1 2586/4885CA1 4844/4885CA2 4718/4885

“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.