SCHEMBL25863209

SCHEMBL25863209

C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(COC(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.44
▸ REN P00797 7/20 0.43
▸ HDAC8 Q9BY41 1/20 0.42
▸ PSMB5 P28074 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ BACE1 P56817 4/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PSMB10 P40306 1/20 0.38

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
SCHEMBL25854489 0.93 REN (0.44) JAK2RENHDAC8PSMB5MAPT
SCHEMBL24797599 0.89 REN (0.46) JAK2RENHDAC8BACE1
SCHEMBL25854493 0.89 REN (0.46) JAK2RENHDAC8BACE1
SCHEMBL17531777 0.85 MEN1 (0.44) RENHDAC8
SCHEMBL25854491 0.84 HTR2A (0.44) JAK2RENHDAC8PSMB5MAPT
SCHEMBL31045408 0.83 KLK5 (0.40) JAK2RENHDAC8KDM4ENPSR1
SCHEMBL31045317 0.81 HDAC8 (0.52) RENHDAC8PPARGPPARA
SCHEMBL25854495 0.81 REN (0.45) RENPPARGPPARA
SCHEMBL19375787 0.81 LTA4H (0.44) RENHDAC8NPC1RAB9ASMN1; SMN2
SCHEMBL22311901 0.79 PSMB5 (0.56) RENPSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11696956-B2 Bicyclic peptide ligands specific for EphA2 BICYCLETX LIMITED (GB) 2023-07-11 — — US 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 (1 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-11696956-B2 Bicyclic peptide ligands specific for EphA2 EPHA2, EPHB2, ERBB2 JAK2 268/4885REN 3338/4885HDAC8 4656/4885

“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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