SCHEMBL29580883

SCHEMBL29580883

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 16/20 0.59
▸ SCTR P47872 1/20 0.59
▸ TFPI P10646 1/20 0.56
▸ NPY1R P25929 2/20 0.53
▸ NPY2R P49146 2/20 0.53
▸ NPY4R P50391 2/20 0.53
▸ NPY5R Q15761 2/20 0.53
▸ KEAP1 Q14145 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
SCHEMBL29581278 0.94 GLP1R (0.64) GLP1R
SCHEMBL29582112 0.94 GLP1R (0.64) GLP1R
SCHEMBL29581449 0.91 GLP1R (0.66) GLP1R
SCHEMBL31026560 0.90 NPY4R (0.54) GLP1RSCTRNPY1RNPY2RNPY4R
SCHEMBL31182719 0.87 GLP1R (0.68) GLP1RSCTRTFPI
SCHEMBL31222393 0.87 NPY4R (0.61) NPY1RNPY2RNPY4RNPY5R
SCHEMBL30538628 0.87 TFPI (0.68) GLP1RSCTRTFPI
SCHEMBL30262097 0.87 GLP1R (0.59) GLP1RSCTRKEAP1
SCHEMBL29658174 0.86 GLP1R (0.62) GLP1RSCTRTFPI
SCHEMBL29622989 0.86 GLP1R (0.65) GLP1RSCTRTFPI

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-12440570-B2 Conjugation of MCR1 ligand with cytotoxic drugs for treating skin cancer ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2025-10-14 — — US disclosed
US-20220143196-A1 CONJUGATION OF MCR1 LIGAND WITH CYTOTOXIC DRUGS FOR TREATING SKIN CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-12 — — 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-20220143196-A1 CONJUGATION OF MCR1 LIGAND WITH CYTOTOXIC DRUGS FOR TREATING SKIN CANCER MC1R, MC3R, MCHR1 GLP1R 64/4885SCTR 43/4885TFPI 4098/4885
US-12440570-B2 Conjugation of MCR1 ligand with cytotoxic drugs for treating skin cancer MC1R, MC3R, MCHR1 GLP1R 64/4885SCTR 43/4885TFPI 4098/4885

“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