SCHEMBL1769057

SCHEMBL1769057

NC(CNC(=O)c1ccccn1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
EPHX2 P34913 1/20 0.57
GRIN3B O60391 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2C Q14957 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL1769054 1.00 KMT2A (0.57) KMT2AEPHX2GRIN3BGRIN1GRIN2C
SCHEMBL1769619 0.85 EPHX2 (0.70) KMT2AEPHX2SMN1; SMN2MEN1
SCHEMBL1769623 0.85 EPHX2 (0.70) KMT2AEPHX2SMN1; SMN2MEN1
SCHEMBL2240238 0.83 SMN1; SMN2 (0.63) KMT2AEPHX2SMN1; SMN2MEN1
SCHEMBL2240242 0.83 SMN1; SMN2 (0.63) KMT2AEPHX2SMN1; SMN2MEN1
SCHEMBL18142931 0.82 SMN1; SMN2 (0.62) KMT2AEPHX2SMN1; SMN2MEN1
SCHEMBL8177448 0.81 SMN1; SMN2 (0.60) KMT2AEPHX2SMN1; SMN2MEN1
SCHEMBL4260290 0.81 KMT2A (0.59) KMT2AEPHX2SMN1; SMN2HTTMEN1
SCHEMBL2238845 0.81 P2RX7 (0.59) GRIN3BGRIN1GRIN2C
SCHEMBL13585060 0.81 P2RX7 (0.59) GRIN3BGRIN1GRIN2C

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 14 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
CN-102712676-B There is the peptidomimetic that the template of CCR10 antagonistic activity is fixing 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
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
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 CN disclosed
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP disclosed
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed
WO-2011060832-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2011-05-26 WO disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY POLYPHOR AG (CH) 2011-05-26 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 KMT2A 3431/4885EPHX2 1468/4885GRIN3B 3377/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 KMT2A 4208/4885EPHX2 2685/4885GRIN3B 2098/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 KMT2A 4121/4885EPHX2 2738/4885GRIN3B 2250/4885

“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.