SCHEMBL29675066

SCHEMBL29675066

CC(C)C[C@H](N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.56
▸ APLNR P35414 1/20 0.55
▸ KEAP1 Q14145 2/20 0.54
▸ MAPK8 P45983 1/20 0.54
▸ MAPK9 P45984 1/20 0.54
▸ MAPK10 P53779 1/20 0.54
▸ CXCR4 P61073 3/20 0.50
▸ CALCR P30988 3/20 0.50
▸ CRHR1 P34998 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ NMUR2 Q9GZQ4 1/20 0.50
▸ NMUR1 Q9HB89 1/20 0.50
▸ GLP1R P43220 3/20 0.49
▸ GCGR P47871 1/20 0.49
▸ GIPR P48546 1/20 0.49
▸ CCKBR P32239 2/20 0.49
▸ CTSL P07711 1/20 0.49
▸ CTSH P09668 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49

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
SCHEMBL29635007 0.95 APLNR (0.52) MC4RAPLNRKEAP1MAPK8MAPK9
SCHEMBL30262190 0.91 APLNR (0.53) MC4RAPLNRMAPK8MAPK9MAPK10
SCHEMBL29697160 0.86 MC4R (0.61) MC4RAPLNRKEAP1MAPK8MAPK9
SCHEMBL30974054 0.85 CALCRL (0.56) APLNRKEAP1MAPK8MAPK9MAPK10
SCHEMBL30433512 0.85 APLNR (0.61) MC4RAPLNRMAPK8MAPK9MAPK10
SCHEMBL30455824 0.85 MAPK8 (0.57) MC4RAPLNRKEAP1MAPK8MAPK9
SCHEMBL30974445 0.85 CALCRL (0.55) APLNRKEAP1MAPK8MAPK9MAPK10
SCHEMBL31182889 0.84 MAPK8 (0.68) APLNRMAPK8MAPK9MAPK10CALCR
SCHEMBL30974429 0.84 MC4R (0.61) MC4RKEAP1CALCR
SCHEMBL29416061 0.84 MAPK8 (0.63) APLNRMAPK8MAPK9MAPK10CALCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4274835-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B Pharmaceuticals GmbH (DE) 2023-11-15 — — EP disclosed
US-20230212549-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2023-07-06 — — US disclosed
US-20220315554-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2022-10-06 — — US disclosed
WO-2022148843-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2022-07-14 — — WO 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-20220315554-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF FIBP, FN1, TPX2 MC4R 3224/4885APLNR 500/4885KEAP1 2919/4885
US-20230212549-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF FIBP, FN1, TPX2 MC4R 3224/4885APLNR 500/4885KEAP1 2919/4885

“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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