SCHEMBL1769603

SCHEMBL1769603

COCCNS(=O)(=O)NCC(N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.44
CA14 Q9ULX7 6/20 0.44
CA7 P43166 4/20 0.44
CA9 Q16790 4/20 0.44
GFPT1 Q06210 1/20 0.40
DDAH1 O94760 1/20 0.36
MAPT P10636 2/20 0.35
PMP22 Q01453 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASR P41180 2/20 0.34
SLC1A1 P43005 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL1769599 1.00 CA12 (0.44) CA12CA14CA7CA9GFPT1
SCHEMBL1769497 0.91 CA12 (0.42) CA12CA14CA7CA9GFPT1
SCHEMBL1769669 0.87 DDAH1 (0.42) CA12CA14CA7CA9DDAH1
SCHEMBL1769672 0.87 DDAH1 (0.42) CA12CA14CA7CA9DDAH1
SCHEMBL1769608 0.80 CA12 (0.38) CA12CA14CA7CA9GFPT1
SCHEMBL1769684 0.80 PTGS1 (0.39) CA12CA14CA7CA9GFPT1
SCHEMBL1769605 0.80 CA12 (0.38) CA12CA14CA7CA9GFPT1
SCHEMBL1769680 0.80 PTGS1 (0.39) CA12CA14CA7CA9GFPT1
SCHEMBL13585613 0.79 DDAH1 (0.37) GFPT1DDAH1MAPTPMP22ALDH1A1
SCHEMBL13585610 0.79 DDAH1 (0.37) GFPT1DDAH1MAPTPMP22ALDH1A1

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
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 CN 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 CA12 1013/4885CA14 1146/4885CA7 883/4885

“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.