SCHEMBL1769052

SCHEMBL1769052

CS(=O)(=O)c1ccc(CNS(=O)(=O)NCC(N)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.43
▸ CA2 P00918 7/20 0.42
▸ CA14 Q9ULX7 4/20 0.42
▸ CA12 O43570 4/20 0.42
▸ CA7 P43166 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ CA1 P00915 5/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ HTT P42858 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ PRMT1 Q99873 1/20 0.39
▸ EPHX1 P07099 1/20 0.38
▸ CASR P41180 1/20 0.38

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
SCHEMBL1769625 1.00 GRM4 (0.43) GRM4CA2CA14CA12CA7
SCHEMBL13584743 0.87 GRM4 (0.50) GRM4CA2CA14CA12CA7
SCHEMBL13584741 0.87 GRM4 (0.50) GRM4CA2CA14CA12CA7
SCHEMBL13585555 0.84 CA12 (0.62) CA2CA14CA12CA7KMT2A
SCHEMBL13585561 0.84 CA12 (0.62) CA2CA14CA12CA7KMT2A
SCHEMBL13585132 0.82 GRM4 (0.44) GRM4CA2CA14CA12CA7
SCHEMBL13585131 0.82 GRM4 (0.44) GRM4CA2CA14CA12CA7
SCHEMBL13585170 0.81 CASR (0.48) GRM4CA2CA14CA12CA7
SCHEMBL13584960 0.81 GRM4 (0.49) GRM4CA2CA14CA12CA7
SCHEMBL13585174 0.81 CASR (0.48) GRM4CA2CA14CA12CA7

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
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
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 GRM4 1683/4885CA2 808/4885CA14 1146/4885

“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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