SCHEMBL29506917

SCHEMBL29506917

CSCC[C@H](NC(C)=O)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)O)[C@@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 10/20 0.52
▸ CALCR P30988 3/20 0.51
▸ APLNR P35414 1/20 0.51
▸ CRHR1 P34998 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ F2 P00734 4/20 0.48
▸ CTSL P07711 1/20 0.46
▸ CTSH P09668 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46

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
SCHEMBL29506916 0.88 APLNR (0.52) CXCL8CALCRAPLNRCRHR1CRHR2
SCHEMBL29634967 0.86 MAPK8 (0.49) CALCRAPLNRF2
SCHEMBL26373782 0.84 CTSL (0.49) CXCL8CALCRAPLNRCRHR1CRHR2
SCHEMBL29635007 0.81 APLNR (0.52) CALCRAPLNRCRHR1CRHR2CTSL
SCHEMBL30262190 0.81 APLNR (0.53) CALCRAPLNRCTSLCTSHCTSS
SCHEMBL31050544 0.81 CTSL (0.53) CXCL8APLNRF2CTSLCTSH
SCHEMBL29675066 0.81 MC4R (0.56) CALCRAPLNRCRHR1CRHR2CTSL
SCHEMBL26374256 0.81 CTSL (0.48) CXCL8CALCRAPLNRCRHR1CRHR2
SCHEMBL29934240 0.81 APLNR (0.61) CALCRAPLNRCTSLCTSHCTSS
SCHEMBL14050018 0.80 SLC6A2 (0.54) APLNR

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 8 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
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 CXCL8 328/4885CALCR 1471/4885APLNR 500/4885
US-20230212549-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF FIBP, FN1, TPX2 CXCL8 328/4885CALCR 1471/4885APLNR 500/4885

“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