SCHEMBL1769591

SCHEMBL1769591

N[C@@H](CCNC(=O)c1nc2ccccc2s1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.61
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
PKM P14618 2/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
CNR1 P21554 2/20 0.53
CNR2 P34972 1/20 0.53
ALDH1A1 P00352 5/20 0.52
HPGD P15428 2/20 0.52
MAOB P27338 3/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
SNCA P37840 1/20 0.50

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
SCHEMBL1769594 1.00 L3MBTL1 (0.61) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL2234232 0.93 L3MBTL1 (0.58) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL2234226 0.93 L3MBTL1 (0.58) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL1769747 0.87 L3MBTL1 (0.64) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL1769743 0.87 L3MBTL1 (0.64) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL19380255 0.81 L3MBTL1 (0.66) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL6998874 0.77 L3MBTL1 (0.71) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL1193406 0.76 L3MBTL1 (0.63) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL210149 0.76 SMN1; SMN2 (0.67) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL5330099 0.76 L3MBTL1 (1.00) L3MBTL1SMN1; SMN2NPC1RAB9APKM

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 10 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-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
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

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 L3MBTL1 609/4885SMN1; SMN2 1981/4885NPC1 4012/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 L3MBTL1 1586/4885SMN1; SMN2 2326/4885NPC1 1872/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 L3MBTL1 1710/4885SMN1; SMN2 2517/4885NPC1 1687/4885

“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.