SCHEMBL13585100

SCHEMBL13585100

NC(CS(=O)(=O)NCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.51
▸ CA12 O43570 3/20 0.51
▸ CA7 P43166 2/20 0.51
▸ CA14 Q9ULX7 2/20 0.51
▸ CA1 P00915 2/20 0.51
▸ ALPI P09923 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ XIAP P98170 1/20 0.51
▸ SLC7A5 Q01650 1/20 0.51
▸ KYNU Q16719 2/20 0.49
▸ SLC1A1 P43005 4/20 0.47
▸ SLC1A3 P43003 3/20 0.47
▸ SLC1A2 P43004 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ CA9 Q16790 1/20 0.45
▸ PRMT1 Q99873 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL13585095 1.00 CA2 (0.51) CA2CA12CA7CA14CA1
SCHEMBL13584945 0.86 CA2 (0.50) CA2CA12CA7CA14CA1
SCHEMBL13584943 0.86 CA2 (0.50) CA2CA12CA7CA14CA1
SCHEMBL13585643 0.84 RECQL (0.50) CA2SLC1A1SLC1A3SLC1A2LMNA
SCHEMBL13585639 0.84 RECQL (0.50) CA2SLC1A1SLC1A3SLC1A2LMNA
SCHEMBL13585132 0.84 GRM4 (0.44) CA2CA12CA7CA14CA1
SCHEMBL13585131 0.84 GRM4 (0.44) CA2CA12CA7CA14CA1
SCHEMBL27872413 0.84 KYNU (0.38) CA2CA12CA7CA14CA1
SCHEMBL13585279 0.83 TPH1 (0.47) CA2CA12CA7CA1SLC1A1
SCHEMBL13585282 0.83 TPH1 (0.47) CA2CA12CA7CA1SLC1A1

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
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

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 CA2 808/4885CA12 1013/4885CA7 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.

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