SCHEMBL13319650

SCHEMBL13319650

CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 3/20 0.63
▸ KISS1R Q969F8 5/20 0.61
▸ NPY1R P25929 1/20 0.57
▸ NPY2R P49146 1/20 0.57
▸ NPY4R P50391 1/20 0.57
▸ NPY5R Q15761 1/20 0.57
▸ C5AR1 P21730 1/20 0.57
▸ CXCL8 P10145 6/20 0.56
▸ CXCR4 P61073 2/20 0.55
▸ DPP3 Q9NY33 1/20 0.54
▸ CTSL P07711 1/20 0.53
▸ CTSH P09668 1/20 0.53
▸ CTSS P25774 1/20 0.53
▸ CTSK P43235 1/20 0.53

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
SCHEMBL30268594 0.92 IL23R (0.66) IL23RKISS1RNPY1RNPY2RNPY4R
SCHEMBL29973644 0.89 KISS1R (0.66) IL23RKISS1RNPY1RNPY2RNPY4R
SCHEMBL31307225 0.89 IL23R (0.65) IL23RKISS1RNPY1RNPY2RNPY4R
SCHEMBL31468796 0.88 KISS1R (0.64) IL23RKISS1RNPY1RNPY2RNPY4R
SCHEMBL34470137 0.88 KISS1R (0.67) IL23RKISS1RNPY1RNPY2RNPY4R
SCHEMBL30398408 0.87 NPY1R (0.65) KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL31410855 0.87 KISS1R (0.65) IL23RKISS1RNPY1RNPY2RNPY4R
SCHEMBL38661114 0.87 KISS1R (0.62) IL23RKISS1RCXCL8DPP3
SCHEMBL30988898 0.86 CTSL (0.56) IL23RKISS1RNPY1RNPY2RNPY4R
SCHEMBL30878079 0.86 KISS1R (0.65) IL23RKISS1RNPY1RNPY2RNPY4R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137206-A1 NOVEL LIGAND GUIDED BLOCK COPOLYMERS FOR TARGETED DRUG DELIVERY THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2010-06-03 — — US disclosed
US-20100137206-A1 NOVEL LIGAND GUIDED BLOCK COPOLYMERS FOR TARGETED DRUG DELIVERY THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2010-06-03 — — US 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-20100137206-A1 NOVEL LIGAND GUIDED BLOCK COPOLYMERS FOR TARGETED DRUG DELIVERY EBPL, EDNRB, BMPR1B IL23R 2572/4885KISS1R 3814/4885NPY1R 2630/4885

“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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