SCHEMBL2237673

SCHEMBL2237673

NC(CCCNC(=O)c1nccs1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
OTC P00480 1/20 0.46
ARG1 P05089 1/20 0.40
HSPA9 P38646 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
DDAH1 O94760 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
GRIK1 P39086 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
GRIK2 Q13002 1/20 0.37
GRIK3 Q13003 1/20 0.37
GRIK4 Q16099 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
SCHEMBL2237666 1.00 HDAC3 (0.48) HDAC3HDAC1OTCARG1HSPA9
SCHEMBL2236830 0.92 HDAC3 (0.45) HDAC3HDAC1OTCARG1HSPA9
SCHEMBL1768872 0.92 HDAC3 (0.45) HDAC3HDAC1OTCARG1HSPA9
SCHEMBL1769145 0.83 GRIN3B (0.48) HSPA9ALDH1A1
SCHEMBL1769143 0.83 GRIN3B (0.48) HSPA9ALDH1A1
SCHEMBL10244836 0.77 HDAC3 (0.51) HDAC3HDAC1HSPA9ALDH1A1CASP3
Lysine SCHEMBL1983160 0.77 GSR (0.56) ARG1ALDH1A1GRIK1GRIA1GRIA2
Lysine SCHEMBL358312 0.77 GSR (0.56) ARG1ALDH1A1GRIK1GRIA1GRIA2
SCHEMBL3504687 0.76 HDAC3 (0.53) HDAC3HDAC1HSPA9ALDH1A1HRH3
SCHEMBL10709105 0.76 HDAC3 (0.47) HDAC3HDAC1HSPA9ALDH1A1HRH3

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.