SCHEMBL13585643

SCHEMBL13585643

NC(CS(=O)(=O)NCc1cccnc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.50
▸ MAPT P10636 1/20 0.47
▸ NAMPT P43490 3/20 0.46
▸ CA2 P00918 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ SLC1A3 P43003 1/20 0.45
▸ SLC1A2 P43004 1/20 0.45
▸ SLC1A1 P43005 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL13585639 1.00 RECQL (0.50) RECQLMAPTNAMPTCA2LMNA
SCHEMBL1769705 0.88 RECQL (0.49) RECQLMAPTNAMPTCA2LMNA
SCHEMBL1769701 0.88 RECQL (0.49) RECQLMAPTNAMPTCA2LMNA
SCHEMBL13585100 0.84 CA2 (0.51) CA2LMNASLC1A3SLC1A2SLC1A1
SCHEMBL13585095 0.84 CA2 (0.51) CA2LMNASLC1A3SLC1A2SLC1A1
SCHEMBL1769575 0.83 NAMPT (0.50) RECQLMAPTNAMPTCA2LMNA
SCHEMBL1769578 0.83 NAMPT (0.50) RECQLMAPTNAMPTCA2LMNA
SCHEMBL13584894 0.81 NAMPT (0.48) RECQLMAPTNAMPTCA2LMNA
SCHEMBL13584895 0.81 NAMPT (0.48) RECQLMAPTNAMPTCA2LMNA
SCHEMBL7011029 0.77 NAMPT (0.57) NAMPTTSHRPOLBCYP2C19

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 RECQL 2813/4885MAPT 3273/4885NAMPT 3946/4885

“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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