SCHEMBL1768775

SCHEMBL1768775

N[C@@H](CNC(=O)NC1CCCCC1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 15/20 0.63
EPHX2 P34913 4/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.49
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL1768784 1.00 EPHX1 (0.63) EPHX1EPHX2KDM4EALDH1A1NPC1
SCHEMBL13584977 0.98 EPHX1 (0.60) EPHX1EPHX2KDM4EALDH1A1NPC1
SCHEMBL13584974 0.98 EPHX1 (0.60) EPHX1EPHX2KDM4EALDH1A1NPC1
SCHEMBL1768254 0.91 EPHX1 (0.50) EPHX1EPHX2KDM4EALDH1A1HPGD
SCHEMBL1768252 0.91 EPHX1 (0.50) EPHX1EPHX2KDM4EALDH1A1HPGD
SCHEMBL1768384 0.84 EPHX1 (0.44) EPHX1EPHX2KDM4EALDH1A1HPGD
SCHEMBL1768433 0.84 EPHX1 (0.57) EPHX1EPHX2KDM4EALDH1A1
SCHEMBL1768382 0.84 EPHX1 (0.44) EPHX1EPHX2KDM4EALDH1A1HPGD
SCHEMBL1768435 0.84 EPHX1 (0.57) EPHX1EPHX2KDM4EALDH1A1
SCHEMBL1768691 0.82 EPHX1 (0.54) EPHX1EPHX2KDM4EALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 EPHX1 2469/4885EPHX2 1468/4885KDM4E 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.