SCHEMBL13584895

SCHEMBL13584895

NC(CCNS(=O)(=O)NCc1cccnc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.48
▸ RECQL P46063 1/20 0.47
▸ GRM8 O00222 1/20 0.46
▸ GRM4 Q14833 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ CA2 P00918 1/20 0.44
▸ SLC1A5 Q15758 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ FES P07332 1/20 0.43
▸ RET P07949 1/20 0.43
▸ MARK3 P27448 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ CLK4 Q9HAZ1 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
SCHEMBL13584894 1.00 NAMPT (0.48) NAMPTRECQLGRM8GRM4MAPT
SCHEMBL1769578 0.88 NAMPT (0.50) NAMPTRECQLMAPTCA2LMNA
SCHEMBL1769575 0.88 NAMPT (0.50) NAMPTRECQLMAPTCA2LMNA
SCHEMBL13585106 0.86 CA12 (0.59) MAPTCA2LMNAHTTSMN1; SMN2
SCHEMBL13585103 0.86 CA12 (0.59) MAPTCA2LMNAHTTSMN1; SMN2
SCHEMBL1769705 0.85 RECQL (0.49) NAMPTRECQLGRM8GRM4MAPT
SCHEMBL1769701 0.85 RECQL (0.49) NAMPTRECQLGRM8GRM4MAPT
SCHEMBL13585639 0.81 RECQL (0.50) NAMPTRECQLMAPTCA2LMNA
SCHEMBL13585643 0.81 RECQL (0.50) NAMPTRECQLMAPTCA2LMNA
SCHEMBL1768737 0.80 FES (0.65) NAMPTRECQLLMNAHPGDHTT

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
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 NAMPT 3946/4885RECQL 2813/4885GRM8 1650/4885

“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.

Send feedback