SCHEMBL30645458

SCHEMBL30645458

C[C@H](NC1CCC1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ EPHX2 P34913 2/20 0.41
▸ C3AR1 Q16581 1/20 0.41
▸ CPB2 Q96IY4 6/20 0.40
▸ NRP1 O14786 2/20 0.37
▸ SHMT1 P34896 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ POLB P06746 1/20 0.35

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
SCHEMBL31416512 0.88 SMN1; SMN2 (0.42) SMN1; SMN2EPHX2C3AR1CPB2SHMT1
SCHEMBL29827128 0.84 SMN1; SMN2 (0.42) SMN1; SMN2EPHX2C3AR1CPB2SHMT1
Acetic Acid SCHEMBL31070917 0.79 SMN1; SMN2 (0.42) SMN1; SMN2EPHX2CPB2
SCHEMBL24804881 0.79 C3AR1 (0.49) C3AR1CPB2SHMT1CTDSP1NOD1
SCHEMBL30193317 0.78 NOD1 (0.50) C3AR1NRP1SHMT1CTDSP1NOD1
SCHEMBL30193454 0.78 PRCP (0.44) C3AR1CPB2NRP1
SCHEMBL2115693 0.77 NOD1 (0.54) C3AR1SHMT1CTDSP1NOD1
SCHEMBL3818717 0.77 NOD1 (0.54) C3AR1SHMT1CTDSP1NOD1
SCHEMBL25875020 0.76 C3AR1 (0.47) C3AR1CPB2SHMT1CTDSP1NOD1
SCHEMBL12222096 0.76 C3AR1 (0.47) C3AR1CPB2SHMT1CTDSP1NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400616-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR NECTIN-4 BICYCLETX LIMITED (GB) 2024-12-05 — — US claimed
CN-117136066-A Nectin-4 targeting peptide compounds and drug conjugates thereof 上海智肽生物科技有限公司 2023-11-28 — — CN claimed
CN-119303102-A Double-target cyclopeptide coupling medicine, medicine composition and application thereof 博瑞生物医药(苏州)股份有限公司 2025-01-14 — — CN disclosed
CN-117136066-A Nectin-4 targeting peptide compounds and drug conjugates thereof 上海智肽生物科技有限公司 2023-11-28 — — 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 (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-20240400616-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR NECTIN-4 NECTIN4, VCAM1, SIGLEC7 SMN1; SMN2 2834/4885EPHX2 3579/4885C3AR1 49/4885

“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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