SCHEMBL22822372

SCHEMBL22822372

C=CCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 1/20 0.60
▸ KISS1R Q969F8 18/20 0.59
▸ NPBWR1 P48145 1/20 0.55

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
SCHEMBL19498887 0.98 IL23R (0.59) IL23RKISS1RNPBWR1
SCHEMBL19498884 0.93 KISS1R (0.62) IL23RKISS1RNPBWR1
SCHEMBL30802584 0.91 KISS1R (0.63) KISS1R
SCHEMBL30450426 0.89 KISS1R (0.63) IL23RKISS1R
SCHEMBL29595776 0.88 KISS1R (0.62) KISS1R
SCHEMBL29595208 0.88 KISS1R (0.62) KISS1R
SCHEMBL23839903 0.87 KISS1R (0.59) KISS1R
SCHEMBL15354488 0.87 IL23R (0.65) IL23RKISS1R
SCHEMBL20376152 0.87 KISS1R (0.60) IL23RKISS1R
SCHEMBL20376297 0.87 KISS1R (0.60) IL23RKISS1R

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-11167277-B2 Cu(I)-catalyzed azide-alkyne cycloadditions (CuAAC) ligands and methods for carrying out Cu(I)-catalyzed azide-alkyne cycloaddition reactions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-11-09 — — US disclosed
US-20200398262-A1 CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITIONS (CUAAC) LIGANDS AND METHODS FOR CARRYING OUT CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITION REACTIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-12-24 — — 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 (2 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-20200398262-A1 CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITIONS (CUAAC) LIGANDS AND METHODS FOR CARRYING OUT CU(I)-CATALYZED AZIDE-ALKYNE CYCLOADDITION REACTIONS RNGTT, AOC2, CTRC IL23R 3027/4885KISS1R 1405/4885NPBWR1 3205/4885
US-11167277-B2 Cu(I)-catalyzed azide-alkyne cycloadditions (CuAAC) ligands and methods for carrying out Cu(I)-catalyzed azide-alkyne cycloaddition reactions RNGTT, AOC2, CTRC IL23R 3027/4885KISS1R 1405/4885NPBWR1 3205/4885

“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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