SCHEMBL25863218

SCHEMBL25863218

C[C@H](NC(=O)CCCC(=O)ON1C(=O)CCC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(COC(N)=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HRH1 P35367 2/20 0.34
▸ REN P00797 2/20 0.33
▸ ITGB1 P05556 3/20 0.31
▸ ITGA4 P13612 3/20 0.31

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
SCHEMBL25854482 0.94 MMP3 (0.34) MMP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL25863216 0.86 NPC1 (0.41) MMP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL25863220 0.85 HDAC2 (0.39) MMP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL19375644 0.81 MMP3 (0.35) MMP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL25863476 0.80 PSMB5 (0.44) RENSIRT2SIRT1SIRT5
SCHEMBL25854480 0.80 HDAC2 (0.39) MMP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL25854483 0.80 NPC1 (0.41) MMP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL17302707 0.78 LTA4H (0.44) MMP3NPC1RAB9ASMN1; SMN2KDM1A
SCHEMBL24479489 0.76 RAB9A (0.41) MMP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL22459909 0.75 MMP3 (0.35) MMP3HDAC3HDAC4HDAC1HDAC7

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 MMP3 4313/4885HDAC3 4811/4885HDAC4 4816/4885

“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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