SCHEMBL1769734

SCHEMBL1769734

CN1CCCN(S(=O)(=O)NCC[C@H](N)C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ SIGMAR1 Q99720 3/20 0.35
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ GCLC P48506 1/20 0.32
▸ TBXAS1 P24557 2/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NPY5R Q15761 1/20 0.30

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
SCHEMBL13585268 1.00 APOBEC3A (0.36) APOBEC3AAPOBEC3GACEPMP22SIGMAR1
SCHEMBL13584558 0.95 PMP22 (0.39) ACEPMP22POLBKMT2AGCLC
SCHEMBL13584559 0.95 PMP22 (0.39) ACEPMP22POLBKMT2AGCLC
SCHEMBL13585327 0.90 PMP22 (0.39) ACEPMP22KMT2AGCLCTBXAS1
SCHEMBL13585323 0.90 PMP22 (0.39) ACEPMP22KMT2AGCLCTBXAS1
SCHEMBL1768934 0.87 DPP7 (0.40) ACEPMP22KMT2AGCLCTBXAS1
SCHEMBL1768936 0.87 DPP7 (0.40) ACEPMP22KMT2AGCLCTBXAS1
SCHEMBL1768846 0.86 APOBEC3A (0.38) APOBEC3AAPOBEC3GPMP22SIGMAR1POLB
SCHEMBL1768848 0.86 APOBEC3A (0.38) APOBEC3AAPOBEC3GPMP22SIGMAR1POLB
SCHEMBL13585220 0.86 DPP7 (0.42) ACEPMP22KMT2AGCLCTBXAS1

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 3 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
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 (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 APOBEC3A 3699/4885APOBEC3G 3885/4885ACE 536/4885

“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.

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