SCHEMBL2487152

SCHEMBL2487152

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PTGS1 P23219 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 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
SCHEMBL1494389 0.81 HDAC6 (0.34) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL16076753 0.81 CA1 (0.32) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL30739107 0.81 CA1 (0.32) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL14450702 0.81 CA1 (0.32) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL29463474 0.79 MEN1 (0.34) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL28941238 0.79 MEN1 (0.34) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL2499624 0.79 KMT2A (0.34) MEN1GAAKMT2AHDAC6HDAC1
SCHEMBL11106058 0.79 MEN1 (0.34) MEN1GAAKMT2AHDAC6HDAC1
Hydrochloric Acid SCHEMBL14966370 0.79 HDAC6 (0.33) HDAC6HDAC1HDAC2CA1CA2
SCHEMBL342692 0.78 AAK1 (0.33) MEN1GAAKMT2AHDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102932-B2 Orthogonal translation components for the in vivo incorporation of unnatural amino acids THE SCRIPPS RESEARCH INSTITUTE (US) 2015-08-11 US disclosed
US-20130244245-A1 Orthogonal Translation Components for the in Vivo Incorporation of Unnatural Amino Acids THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-19 US disclosed
US-8216804-B2 pairs of orthogonal-tRNAs (O-tRNAs) and orthogonal aminoacyl-tRNA synthetases (O RSs) that do not interact with the host cell translation machinery THE SCRIPPS RESEARCH INSTITUTE (US) 2012-07-10 US disclosed
EP-2383340-A2 Orthogonal translation components for the in vivo incorporation of unnatural amino acids The Scripps Research Institute (US) 2011-11-02 EP disclosed
EP-2380982-A1 Orthogonal translation components for the in vivo incorporation of unnatural amino acids The Scripps Research Institute (US) 2011-10-26 EP disclosed
US-20080233611-A1 Orthogonal Translation Components for the in Vivo Incorporation of Unnatural Amino Acids THE SCRIPPS RESEARCH INSTITUTE (US) 2008-09-25 US disclosed
EP-1807515-A4 ORTHOGONAL TRANSLATION COMPONENTS FOR THE IN VIVO INCORPORATION OF UNNATURAL AMINO ACIDS SCRIPPS RESEARCH INST (US) 2008-06-18 EP disclosed
EP-1807515-A2 ORTHOGONAL TRANSLATION COMPONENTS FOR THE IN VIVO INCORPORATION OF UNNATURAL AMINO ACIDS The Scripps Research Institute (US) 2007-07-18 EP disclosed
WO-2006110182-A2 ORTHOGONAL TRANSLATION COMPONENTS FOR THE IN VIVO INCORPORATION OF UNNATURAL AMINO ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2006-10-19 WO disclosed
EP-0304087-B1 Quinolone and naphthyridine antibacterial agents containing an alpha-amino acid in the side chain of the 7-substituent WARNER LAMBERT CO (US) 1994-03-30 EP disclosed
US-4851418-A Naphthyridine antibacterial agents containing an α-amino acid in the side chain of the 7-substituent WARNER-LAMBERT COMPANY (US) 1989-07-25 US disclosed
EP-0304087-A2 Quinolone and naphthyridine antibacterial agents containing an alpha-amino acid in the side chain of the 7-substituent WARNER-LAMBERT COMPANY (US) 1989-02-22 EP 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 (1 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-20080233611-A1 Orthogonal Translation Components for the in Vivo Incorporation of Unnatural Amino Acids AARS1, NSUN3, OSGEP MEN1 3644/4885GAA 1763/4885KMT2A 2346/4885

“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.