SCHEMBL2684591

SCHEMBL2684591

CCNC(=O)[C@@H](N)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.51
ENPEP Q07075 1/20 0.51
ERAP2 Q6P179 1/20 0.50
LNPEP Q9UIQ6 1/20 0.50
KMT2A Q03164 1/20 0.50
ACACB O00763 2/20 0.49
ALDH1A1 P00352 1/20 0.49
DPP4 P27487 1/20 0.46
MMP2 P08253 1/20 0.44
CSK P41240 1/20 0.44
TPH1 P17752 1/20 0.44
SLC7A5 Q01650 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
Benzoic Acid SCHEMBL28518694 0.91 MMP2 (0.52) ANPEPMMP2SLC7A5
SCHEMBL6653906 0.85 ALPI (0.59) ANPEPMMP2SLC7A5
SCHEMBL988104 0.85 ALPI (0.59) ANPEPMMP2SLC7A5
SCHEMBL13972848 0.84 CSK (0.46) ERAP2LNPEPACACBMMP2CSK
SCHEMBL10885518 0.84 SLC7A5 (0.59) ERAP2LNPEPMMP2SLC7A5
SCHEMBL12201010 0.84 SLC7A5 (0.59) ERAP2LNPEPMMP2SLC7A5
Hydrochloric Acid SCHEMBL7762751 0.84 ALPI (0.58) ANPEPMMP2SLC7A5
SCHEMBL13382056 0.83 MMP2 (0.56) ACACBDPP4MMP2CSKSLC7A5
SCHEMBL2687077 0.80 SLC7A5 (0.50) ERAP2LNPEPACACBMMP2CSK
SCHEMBL10069256 0.80 ANPEP (0.61) ANPEPENPEPERAP2LNPEPKMT2A

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
EP-1991226-B1 INHIBITORS OF HISTONE DEACETYLASE MERCK SHARP & DOHME (US) 2013-03-20 EP disclosed
EP-1991226-B1 INHIBITORS OF HISTONE DEACETYLASE MERCK SHARP & DOHME (US) 2013-03-20 EP disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
EP-1991226-A2 INHIBITORS OF HISTONE DEACETYLASE Merck & Co., Inc. (US) 2008-11-19 EP disclosed
WO-2007100657-A2 INHIBITORS OF HISTONE DEACETYLASE MERCK & CO., INC. (US) 2007-09-07 WO disclosed
WO-2007100657-A2 INHIBITORS OF HISTONE DEACETYLASE MERCK & CO., INC. (US) 2007-09-07 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 (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-20090069250-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC6 ANPEP 3377/4885ENPEP 809/4885ERAP2 1000/4885

“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.