SCHEMBL29506907

SCHEMBL29506907

CCCC[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(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.53
▸ BDKRB2 P30411 1/20 0.51
▸ CALCRL Q16602 2/20 0.49
▸ AGTR1 P30556 2/20 0.49
▸ AGTR2 P50052 2/20 0.49
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ NMUR2 Q9GZQ4 1/20 0.47
▸ NMUR1 Q9HB89 1/20 0.47
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ NTSR2 O95665 1/20 0.46
▸ NTSR1 P30989 1/20 0.46
▸ SORT1 Q99523 1/20 0.46
▸ KEAP1 Q14145 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
SCHEMBL31490515 0.92 MAPK8 (0.54) SLC6A2BDKRB2CALCRLMAPK8MAPK9
SCHEMBL29726955 0.92 SLC6A2 (0.55) SLC6A2BDKRB2CALCRLNMUR2NMUR1
SCHEMBL29506914 0.91 MAPK8 (0.51) SLC6A2BDKRB2CALCRLAGTR1AGTR2
SCHEMBL31490504 0.91 MAPK8 (0.52) SLC6A2BDKRB2CALCRLMAPK8MAPK9
SCHEMBL29674936 0.91 SLC6A2 (0.52) SLC6A2BDKRB2CALCRLMAPK8MAPK9
SCHEMBL29506913 0.89 MAPK8 (0.50) SLC6A2CALCRLAGTR1AGTR2MAPK8
SCHEMBL31070215 0.89 SLC6A2 (0.63) SLC6A2CALCRLAGTR1AGTR2NMUR2
SCHEMBL29726956 0.88 SLC6A2 (0.55) SLC6A2CALCRLOPRM1OPRD1
SCHEMBL29726957 0.88 SLC6A2 (0.56) SLC6A2CALCRLNMUR2NMUR1OPRM1
SCHEMBL29601373 0.87 MAPK8 (0.52) SLC6A2CALCRLAGTR1AGTR2MAPK8

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 7 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
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
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 SLC6A2 4861/4885BDKRB2 1235/4885CALCRL 1223/4885
US-20230212549-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF FIBP, FN1, TPX2 SLC6A2 4861/4885BDKRB2 1235/4885CALCRL 1223/4885

“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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