SCHEMBL29634985

SCHEMBL29634985

C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.57
▸ KEAP1 Q14145 1/20 0.52
▸ NMUR2 Q9GZQ4 1/20 0.50
▸ NMUR1 Q9HB89 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ SLC6A2 P23975 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
SCHEMBL29726955 0.93 SLC6A2 (0.55) CALCRLNMUR2NMUR1OPRM1OPRD1
SCHEMBL29726957 0.89 SLC6A2 (0.56) CALCRLKEAP1NMUR2NMUR1OPRM1
SCHEMBL29634954 0.89 CALCRL (0.51) CALCRLKEAP1NMUR2NMUR1
SCHEMBL29726956 0.88 SLC6A2 (0.55) CALCRLOPRM1OPRD1OPRK1SLC6A2
SCHEMBL29674936 0.86 SLC6A2 (0.52) CALCRLNMUR2NMUR1OPRM1OPRD1
SCHEMBL31070215 0.86 SLC6A2 (0.63) CALCRLNMUR2NMUR1OPRM1OPRD1
SCHEMBL29601373 0.85 MAPK8 (0.52) CALCRLKEAP1NMUR2NMUR1SLC6A2
SCHEMBL29506907 0.85 SLC6A2 (0.53) CALCRLKEAP1NMUR2NMUR1OPRM1
SCHEMBL29635007 0.85 APLNR (0.52) CALCRLKEAP1NMUR2NMUR1
SCHEMBL31490515 0.83 MAPK8 (0.54) CALCRLNMUR2NMUR1SLC6A2

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 5 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
EP-3997104-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B Pharmaceuticals GmbH (DE) 2022-05-18 — — EP 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 CALCRL 1223/4885KEAP1 2919/4885NMUR2 1993/4885
US-20230212549-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF FIBP, FN1, TPX2 CALCRL 1223/4885KEAP1 2919/4885NMUR2 1993/4885

“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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