SCHEMBL1263504

SCHEMBL1263504

CCOC(N)(CCC(=O)OC(C)(C)C)OCC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
STING1 Q86WV6 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
SCHEMBL3960043 0.82 GRM4 (0.37) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL19147779 0.81 HDAC6 (0.33) HDAC1HDAC2HDAC6HDAC3HDAC8
Hydrochloric Acid SCHEMBL31301903 0.80 STING1 (0.36) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL29035595 0.79 HDAC1 (0.32) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL5201745 0.79 CYP1A2 (0.32)
SCHEMBL328633 0.78 STING1 (0.36) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL16334546 0.78 STING1 (0.36) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL28026420 0.76 STING1 (0.36) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL16751457 0.76 LMNA (0.36) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL19001556 0.75 STING1 (0.31) STING1

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-2751141-B1 STABLE PEPTIDE-BASED PACE4 INHIBITORS SOCPRA SCIENCES SANTE ET HUMAINES S E C (CA) 2018-03-21 EP disclosed
US-9809621-B2 Stable peptide-based PACE4 inhibitors SOCPRA SCIENCES SANTÉ ET HUMAINES S.E.C. (CA) 2017-11-07 US disclosed
US-20150141324-A1 STABLE PEPTIDE-BASED FURIN INHIBITORS SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2015-05-21 US disclosed
US-9017673-B2 Peptide analogues comprising at least one type of aminoacylaza-$g(b)<sp>3</sp>and the use thereof, in particular for therapy CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-04-28 US disclosed
EP-2776471-A1 STABLE PEPTIDE-BASED FURIN INHIBITORS Socpra Sciences Santé Et Humaines S.E.C. (CA) 2014-09-17 EP disclosed
US-20140206622-A1 STABLE PEPTIDE-BASED PACE4 INHIBITORS SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2014-07-24 US disclosed
EP-2751141-A1 STABLE PEPTIDE-BASED PACE4 INHIBITORS Socpra Sciences Santé Et Humaines S.E.C. (CA) 2014-07-09 EP disclosed
WO-2013029180-A1 STABLE PEPTIDE-BASED PACE4 INHIBITORS SOCPRA SCIENCES SANTÉ ET HUMAINES S.E.C. (CA) 2013-03-07 WO disclosed
WO-2013029182-A1 STABLE PEPTIDE-BASED FURIN INHIBITORS SOCPRA SCIENCES SANTÉ ET HUMAINES S.E.C. (CA) 2013-03-07 WO disclosed
US-20110044974-A1 Peptide analogues comprising at least one type of aminoacylaza-$g(b)<sp>3</sp>and the use thereof, in particular for therapy CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-02-24 US disclosed
EP-1631586-B1 PEPTIDE ANALOGUES COMPRISING AT LEAST ONE TYPE OF AMINOACYL AZA-BETA 3 AND THE USE THEREOF, IN PARTICULAR FOR THERAPY CENTRE NAT RECH SCIENT (FR) 2007-08-22 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 (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-20150141324-A1 STABLE PEPTIDE-BASED FURIN INHIBITORS FURIN, PREP, VIP HDAC1 1185/4885HDAC2 2110/4885HDAC6 1423/4885
US-20140206622-A1 STABLE PEPTIDE-BASED PACE4 INHIBITORS FURIN, DNPEP, PRAP1 HDAC1 1946/4885HDAC2 3082/4885HDAC6 1209/4885
US-20110044974-A1 Peptide analogues comprising at least one type of aminoacylaza-$g(b)<sp>3</sp>and the use thereof, in particular for therapy ANPEP, NPPA, DPP3 HDAC1 1073/4885HDAC2 2919/4885HDAC6 455/4885

“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.