SCHEMBL31720527

SCHEMBL31720527

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 7/20 0.63
▸ MMP2 P08253 3/20 0.58
▸ MMP8 P22894 2/20 0.58
▸ MMP1 P03956 2/20 0.58
▸ MMP9 P14780 1/20 0.58
▸ GHSR Q92847 4/20 0.57
▸ ECE1 P42892 5/20 0.57
▸ IL1RN P18510 6/20 0.56
▸ ERAP1 Q9NZ08 4/20 0.56
▸ EDNRA P25101 1/20 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
SCHEMBL31720482 0.97 ERAP2 (0.64) ERAP2MMP2MMP8MMP1MMP9
SCHEMBL31720547 0.94 ERAP2 (0.66) ERAP2MMP2MMP8MMP1MMP9
SCHEMBL31720495 0.94 ERAP2 (0.63) ERAP2GHSRECE1IL1RNERAP1
SCHEMBL30788023 0.93 ERAP2 (0.63) ERAP2MMP2MMP8MMP1MMP9
SCHEMBL31232500 0.93 ERAP2 (0.63) ERAP2GHSRECE1IL1RNERAP1
SCHEMBL30465909 0.93 ERAP2 (0.70) ERAP2MMP2MMP8MMP1MMP9
SCHEMBL29505127 0.92 GHSR (0.62) ERAP2GHSRIL1RNERAP1
SCHEMBL30518838 0.91 ERAP2 (0.61) ERAP2GHSRIL1RNERAP1EDNRA
SCHEMBL29691762 0.91 ERAP2 (0.70) ERAP2MMP2MMP8MMP1MMP9
SCHEMBL30507632 0.91 GHSR (0.63) GHSR

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 257/4885MMP2 284/4885MMP8 755/4885

“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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