SCHEMBL25549782

SCHEMBL25549782

CCC(C)C(NC(=O)C(CCCCN)NC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 5/20 0.59
▸ MAGI3 Q5TCQ9 1/20 0.58
▸ CASP1 P29466 1/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ CASP4 P49662 1/20 0.56
▸ CASP5 P51878 1/20 0.56
▸ CASP7 P55210 1/20 0.56
▸ CASP9 P55211 1/20 0.56
▸ CASP6 P55212 1/20 0.56
▸ CASP8 Q14790 1/20 0.56
▸ CASP10 Q92851 1/20 0.56
▸ KISS1R Q969F8 3/20 0.55
▸ IL23R Q5VWK5 7/20 0.54

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
Kqikiwfqnkkmkwkk-Nh2 SCHEMBL31748869 0.86 PTH1R (0.60) GHSRIL23R
SCHEMBL1271579 0.86 MAGI3 (0.60) GHSRMAGI3CASP1CASP3CASP4
SCHEMBL29433937 0.85 KISS1R (0.61) GHSRMAGI3KISS1RIL23R
SCHEMBL27913477 0.84 EDNRA (0.59) KISS1R
SCHEMBL27913484 0.84 EDNRA (0.59) KISS1R
SCHEMBL29555584 0.83 KISS1R (0.67) KISS1RIL23R
SCHEMBL29850431 0.83 GLP1R (0.64) KISS1R
SCHEMBL30378939 0.83 PTH1R (0.60) GHSRMAGI3KISS1RIL23R
SCHEMBL1373223 0.83 KISS1R (0.61) GHSRKISS1RIL23R
SCHEMBL1373215 0.83 KISS1R (0.61) GHSRKISS1RIL23R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230173084-A1 PEPTIDE-BASED SYNTHETIC CHLORIDE ION TRANSPORTERS TAVANTA THERAPEUTICS HUNGARY INCORPORATED (HU) 2023-06-08 — — 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-20230173084-A1 PEPTIDE-BASED SYNTHETIC CHLORIDE ION TRANSPORTERS CFTR, SLC26A3, SLC26A4 GHSR 989/4885MAGI3 2874/4885CASP1 3934/4885

“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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