SCHEMBL2236817

SCHEMBL2236817

N[C@@H](CCNC(=O)c1cscn1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
KDM4E B2RXH2 1/20 0.44
EPHX2 P34913 1/20 0.42
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAP3K5 Q99683 1/20 0.39
MCHR1 Q99705 1/20 0.38
GRM8 O00222 1/20 0.37
GRM4 Q14833 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
FOLH1 Q04609 1/20 0.36
OTC P00480 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A1 P43005 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL1768726 1.00 HDAC3 (0.45) HDAC3HDAC1KDM4EEPHX2LMNA
SCHEMBL2234108 0.92 HDAC3 (0.48) HDAC3HDAC1KDM4EEPHX2MAP3K5
SCHEMBL2234116 0.92 HDAC3 (0.48) HDAC3HDAC1KDM4EEPHX2MAP3K5
SCHEMBL1768624 0.85 KDM4E (0.46) HDAC3HDAC1KDM4E
SCHEMBL1768627 0.85 KDM4E (0.46) HDAC3HDAC1KDM4E
SCHEMBL27284577 0.81 CNR1 (0.47) HDAC3HDAC1KDM4EEPHX2LMNA
SCHEMBL24915784 0.79 HDAC3 (0.53) HDAC3HDAC1KDM4ELMNAMAP3K5
SCHEMBL3337029 0.78 KDM4E (0.50) HDAC3HDAC1KDM4EHPGDMAP3K5
Hydrochloric Acid SCHEMBL10709333 0.77 HDAC3 (0.52) HDAC3HDAC1KDM4ELMNAMAP3K5
SCHEMBL1769623 0.77 EPHX2 (0.70) HDAC3HDAC1KDM4EEPHX2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637520-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2017-05-02 US disclosed
EP-2531520-B1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2016-05-11 EP disclosed
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2015-10-29 US disclosed
US-9109009-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2015-08-18 US disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 US disclosed
EP-2531520-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY Polyphor AG (CH) 2012-12-12 EP disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 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-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 HDAC3 3755/4885HDAC1 2385/4885KDM4E 4722/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 HDAC3 3328/4885HDAC1 1800/4885KDM4E 4660/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 HDAC3 3213/4885HDAC1 1726/4885KDM4E 4606/4885

“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.