SCHEMBL2238075

SCHEMBL2238075

CC(C)(N)CC(=O)NCCCC(N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.56
NOD1 Q9Y239 2/20 0.45
DDAH1 O94760 1/20 0.43
GSR P00390 1/20 0.42
BHMT Q93088 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
DPP7 Q9UHL4 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
CYP2C19 P33261 1/20 0.39
NOS2 P35228 1/20 0.39
ARG1 P05089 3/20 0.39
ARG2 P78540 3/20 0.39

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
SCHEMBL2238069 1.00 OTC (0.56) OTCNOD1DDAH1GSRBHMT
SCHEMBL2237590 0.90 OTC (0.44) OTCNOD1GSRBHMTKMT2A
SCHEMBL2237587 0.90 OTC (0.44) OTCNOD1GSRBHMTKMT2A
SCHEMBL23011480 0.84 OTC (0.53) OTCNOD1GSRBHMTDPP7
SCHEMBL2240293 0.82 OTC (0.58) OTCNOD1DDAH1GSRCYP2C19
SCHEMBL2240289 0.82 OTC (0.58) OTCNOD1DDAH1GSRCYP2C19
SCHEMBL24828781 0.81 OTC (0.50) OTCNOD1GSRBHMTDPP7
SCHEMBL23033000 0.80 OTC (0.49) OTCNOD1GSRBHMTDPP7
SCHEMBL23033290 0.80 OTC (0.49) OTCNOD1GSRBHMTDPP7
SCHEMBL23032981 0.80 OTC (0.49) OTCNOD1GSRBHMTDPP7

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 OTC 3226/4885NOD1 1005/4885DDAH1 2944/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 OTC 3134/4885NOD1 944/4885DDAH1 2912/4885

“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.