SCHEMBL1768801

SCHEMBL1768801

NC(CCNC(=O)NCCCN1CCOCC1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
LMNA P02545 2/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.55
EPHX1 P07099 1/20 0.54
HPGD P15428 1/20 0.53
DUSP3 P51452 1/20 0.53
TSHR P16473 2/20 0.52
EPHX2 P34913 1/20 0.52
MAPK1 P28482 1/20 0.51
HIF1A Q16665 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.50
POLB P06746 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
SCHEMBL1768797 1.00 GAA (0.58) GAALMNAKDM4EALDH1A1EPHX1
SCHEMBL1768478 0.91 TSHR (0.52) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL1768474 0.91 TSHR (0.52) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL1768408 0.90 GAA (0.57) GAALMNAKDM4EALDH1A1EPHX1
SCHEMBL1768404 0.90 GAA (0.57) GAALMNAKDM4EALDH1A1EPHX1
SCHEMBL2347336 0.86 GAA (0.70) GAALMNAKDM4EALDH1A1EPHX1
SCHEMBL1768727 0.84 ALDH1A1 (0.59) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL1768733 0.84 ALDH1A1 (0.59) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL1769513 0.83 GAA (0.58) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL1769518 0.83 GAA (0.58) GAALMNAKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP 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 (1 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 GAA 1779/4885LMNA 2407/4885KDM4E 4722/4885

“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.