SCHEMBL2234116

SCHEMBL2234116

NC(CCCNC(=O)c1cscn1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
OTC P00480 1/20 0.46
KDM4E B2RXH2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
FOLH1 Q04609 1/20 0.39
DDAH1 O94760 1/20 0.38
ARG1 P05089 1/20 0.37
EPHX2 P34913 1/20 0.37
MCHR1 Q99705 1/20 0.37
MAP3K5 Q99683 1/20 0.37

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
SCHEMBL2234108 1.00 HDAC3 (0.48) HDAC3HDAC1OTCKDM4EHDAC6
SCHEMBL2236817 0.92 HDAC3 (0.45) HDAC3HDAC1OTCKDM4EHDAC6
SCHEMBL1768726 0.92 HDAC3 (0.45) HDAC3HDAC1OTCKDM4EHDAC6
SCHEMBL1768624 0.83 KDM4E (0.46) HDAC3HDAC1KDM4E
SCHEMBL1768627 0.83 KDM4E (0.46) HDAC3HDAC1KDM4E
SCHEMBL27284609 0.82 HDAC3 (0.48) HDAC3HDAC1KDM4EHDAC6FOLH1
SCHEMBL2240238 0.78 SMN1; SMN2 (0.63) HDAC3HDAC1HDAC6EPHX2
SCHEMBL2240242 0.78 SMN1; SMN2 (0.63) HDAC3HDAC1HDAC6EPHX2
SCHEMBL2237243 0.78 KDM4E (0.59) HDAC3HDAC1OTCKDM4E
SCHEMBL2237253 0.78 KDM4E (0.59) HDAC3HDAC1OTCKDM4E

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 7 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-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
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 (2 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-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 HDAC3 3328/4885HDAC1 1800/4885OTC 3226/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 HDAC3 3213/4885HDAC1 1726/4885OTC 3134/4885

“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.