SCHEMBL2237070

SCHEMBL2237070

CCC(=O)NCCC[C@H](N)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.63
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NOD1 Q9Y239 4/20 0.52
DDAH1 O94760 2/20 0.49
NOS1 P29475 2/20 0.49
DPP7 Q9UHL4 1/20 0.47
GSR P00390 1/20 0.47
NOS3 P29474 1/20 0.43
CYP2C19 P33261 1/20 0.43
NOS2 P35228 1/20 0.43
ARG1 P05089 3/20 0.43
ARG2 P78540 3/20 0.43
RECQL P46063 1/20 0.42

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
SCHEMBL2237074 1.00 OTC (0.63) OTCMEN1KMT2ANOD1DDAH1
SCHEMBL1423420 0.95 MEN1 (0.61) OTCMEN1KMT2ANOD1DDAH1
SCHEMBL13745390 0.95 MEN1 (0.61) OTCMEN1KMT2ANOD1DDAH1
SCHEMBL1768826 0.89 KMT2A (0.50) OTCMEN1KMT2ANOD1DDAH1
SCHEMBL1768830 0.89 KMT2A (0.50) OTCMEN1KMT2ANOD1DDAH1
SCHEMBL16860748 0.86 NOD1 (0.60) OTCNOD1DDAH1NOS1DPP7
SCHEMBL16860728 0.86 NOD1 (0.60) OTCNOD1DDAH1NOS1DPP7
SCHEMBL16860752 0.84 NOD1 (0.67) OTCNOD1DDAH1NOS1DPP7
SCHEMBL16860722 0.84 NOD1 (0.67) OTCNOD1DDAH1NOS1DPP7
SCHEMBL25186310 0.83 OTC (0.65) OTCKMT2ANOD1DDAH1GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3087094-B1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2022-06-01 EP disclosed
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors POLYPHOR AG (CH) 2019-04-30 US disclosed
US-9637520-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2017-05-02 US disclosed
US-20160333053-A1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2016-11-17 US disclosed
EP-3087094-A1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS Polyphor AG (CH) 2016-11-02 EP disclosed
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 CN 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
WO-2015096873-A1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2015-07-02 WO disclosed
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 US disclosed
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 CN disclosed
EP-2531520-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY Polyphor AG (CH) 2012-12-12 EP disclosed
US-8093231-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2012-01-10 US disclosed
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES TELIK, INC. 2008-02-14 US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 US 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 (5 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-20160333053-A1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS SERPINB1, ELANE, XPNPEP1 OTC 4684/4885MEN1 2797/4885KMT2A 3523/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 OTC 3226/4885MEN1 3558/4885KMT2A 4208/4885
US-10273267-B2 Beta-hairpin peptidomimetics as selective elastase inhibitors SERPINB1, ELANE, XPNPEP1 OTC 4684/4885MEN1 2797/4885KMT2A 3523/4885
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES MTAP, TYMP, PHOSPHO1 OTC 2553/4885MEN1 855/4885KMT2A 1619/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 OTC 3134/4885MEN1 3757/4885KMT2A 4121/4885

“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.