SCHEMBL31720351

SCHEMBL31720351

C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 5/20 0.69
▸ ACE P12821 3/20 0.60
▸ IL1RN P18510 4/20 0.57
▸ ERAP1 Q9NZ08 3/20 0.57
▸ ECE1 P42892 10/20 0.56

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
SCHEMBL30772214 0.95 ERAP2 (0.64) ERAP2ACEIL1RNERAP1ECE1
SCHEMBL29492470 0.90 ACE (0.62) ERAP2ACEECE1
SCHEMBL30945895 0.90 GHSR (0.64) ERAP2IL1RNERAP1
SCHEMBL21641793 0.90 ACE (0.73) ERAP2ACEECE1
SCHEMBL21641792 0.90 ACE (0.73) ERAP2ACEECE1
SCHEMBL21641791 0.90 ACE (0.73) ERAP2ACEECE1
SCHEMBL29380886 0.90 ACE (0.73) ERAP2ACEECE1
SCHEMBL30465908 0.89 ACE (0.64) ERAP2ACEECE1
SCHEMBL30974046 0.89 GHSR (0.63) ERAP2ACEECE1
SCHEMBL31720550 0.88 ACE (0.69) ACEECE1

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-20250339569-A1 CARBONIC ANHYDRASE IX LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2025-11-06 — — 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-20250339569-A1 CARBONIC ANHYDRASE IX LIGANDS CA9, CA13, CA4 ERAP2 257/4885ACE 760/4885IL1RN 1190/4885

“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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