SCHEMBL29506916

SCHEMBL29506916

CCCCCCN[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)O)[C@@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.52
▸ CALCR P30988 4/20 0.47
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ SLC40A1 Q9NP59 1/20 0.46
▸ F2 P00734 4/20 0.46
▸ HCRTR1 O43613 1/20 0.46
▸ HCRTR2 O43614 1/20 0.46
▸ CCKBR P32239 2/20 0.44
▸ GLP1R P43220 2/20 0.44
▸ CXCL8 P10145 4/20 0.43
▸ CALCRL Q16602 1/20 0.43
▸ CRHR1 P34998 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43

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
SCHEMBL29601373 0.89 MAPK8 (0.52) APLNRMAPK8MAPK9MAPK10CXCL8
SCHEMBL29506917 0.88 CXCL8 (0.52) APLNRCALCRF2CXCL8CRHR1
SCHEMBL29634954 0.86 CALCRL (0.51) MAPK8MAPK9MAPK10CXCL8CALCRL
SCHEMBL29506913 0.86 MAPK8 (0.50) APLNRMAPK8MAPK9MAPK10CALCRL
SCHEMBL29634967 0.86 MAPK8 (0.49) APLNRCALCRMAPK8MAPK9MAPK10
SCHEMBL29506914 0.85 MAPK8 (0.51) APLNRMAPK8MAPK9MAPK10CALCRL
SCHEMBL29506912 0.84 MAPK8 (0.52) APLNRMAPK8MAPK9MAPK10CALCRL
SCHEMBL29635007 0.83 APLNR (0.52) APLNRCALCRMAPK8MAPK9MAPK10
SCHEMBL30262190 0.83 APLNR (0.53) APLNRCALCRMAPK8MAPK9MAPK10
SCHEMBL29675066 0.82 MC4R (0.56) APLNRCALCRMAPK8MAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955620-A Compounds comprising fibroblast activation protein ligands and uses thereof 3B制药有限公司 2024-11-15 — — CN disclosed
CN-118930608-A Compounds comprising fibroblast activation protein ligands and uses thereof 3B制药有限公司 2024-11-12 — — CN disclosed
CN-114341158-B Compounds comprising fibroblast activation protein ligands and uses thereof 3B制药有限公司 2024-08-06 — — CN disclosed
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
EP-3997104-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B Pharmaceuticals GmbH (DE) 2022-05-18 — — EP disclosed
CN-114341158-A Compounds comprising fibroblast activation protein ligands and uses thereof 3B制药有限公司 2022-04-12 — — CN 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 APLNR 500/4885CALCR 1471/4885MAPK8 763/4885
US-20230212549-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF FIBP, FN1, TPX2 APLNR 500/4885CALCR 1471/4885MAPK8 763/4885

“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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