Sugi Predict

Sugi Predict / Compounds / SCHEMBL13248741

SCHEMBL13248741

SCHEMBL13248741

CNC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC)C(C)C)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 12/20 0.58
▸ IL23R Q5VWK5 4/20 0.55
▸ NPY2R P49146 2/20 0.54
▸ GHSR Q92847 2/20 0.54
▸ GLP1R P43220 2/20 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
SCHEMBL13248725 0.97 KISS1R (0.60) KISS1RIL23RNPY2RGHSR
SCHEMBL12507812 0.97 KISS1R (0.60) KISS1RIL23RNPY2RGHSR
SCHEMBL12417448 0.96 KISS1R (0.60) KISS1RIL23RNPY2RGHSR
SCHEMBL12417440 0.93 KISS1R (0.59) KISS1RIL23RNPY2RGHSR
SCHEMBL12417317 0.93 KISS1R (0.59) KISS1RIL23RNPY2RGHSR
SCHEMBL29400476 0.93 KISS1R (0.60) KISS1RIL23RNPY2RGHSR
SCHEMBL12508019 0.93 KISS1R (0.59) KISS1RIL23RNPY2RGHSR
SCHEMBL12417304 0.93 KISS1R (0.59) KISS1RIL23RNPY2RGHSR
SCHEMBL13248728 0.92 KISS1R (0.66) KISS1RNPY2RGHSR
SCHEMBL12417357 0.92 KISS1R (0.60) KISS1RIL23RNPY2RGHSRGLP1R

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-20100179093-A1 Neoropeptide-2-Receptor (Y-2R) Agonists DANHO WALEED 2010-07-15 — — US disclosed
US-20100179093-A1 Neoropeptide-2-Receptor (Y-2R) Agonists DANHO WALEED 2010-07-15 — — 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-20100179093-A1 Neoropeptide-2-Receptor (Y-2R) Agonists NPY2R, NPY1R, NPY4R KISS1R 147/4885IL23R 392/4885NPY2R 1/4885

“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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