SCHEMBL1769574

SCHEMBL1769574

COC(=O)c1ccc(COc2ccc(CC(N)C(=O)O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 3/20 0.65
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPT P10636 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
SLC7A5 Q01650 3/20 0.56
FFAR1 O14842 1/20 0.54
LTA4H P09960 1/20 0.54
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
POLB P06746 1/20 0.52
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 1/20 0.52
PPARA Q07869 1/20 0.51

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
SCHEMBL1769570 1.00 LNPEP (0.65) LNPEPNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1768596 0.89 SLC7A5 (0.68) LNPEPMAPTSLC7A5ITGB3ITGA2B
SCHEMBL1768600 0.89 SLC7A5 (0.68) LNPEPMAPTSLC7A5ITGB3ITGA2B
SCHEMBL6776885 0.89 SLC7A5 (0.68) LNPEPMAPTSLC7A5ITGB3ITGA2B
SCHEMBL29641581 0.86 FFAR1 (0.62) NPC1RAB9ASMN1; SMN2MAPTSLC7A5
Tyrosine SCHEMBL10321534 0.86 SLC7A5 (0.71) LNPEPSLC7A5
SCHEMBL16998513 0.85 RAB9A (0.63) LNPEPNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10236929 0.84 RAB9A (0.82) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL11350421 0.84 RAB9A (0.82) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL7347087 0.83 MAOB (0.61) LNPEPMAPTSLC7A5FFAR1LTA4H

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 13 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
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-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
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 LNPEP 189/4885NPC1 4012/4885RAB9A 2766/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 LNPEP 416/4885NPC1 1872/4885RAB9A 1588/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 LNPEP 365/4885NPC1 1687/4885RAB9A 1674/4885

“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.