SCHEMBL26421774

SCHEMBL26421774

CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.55
▸ MMP2 P08253 4/20 0.54
▸ MMP1 P03956 3/20 0.54
▸ MMP8 P22894 3/20 0.54
▸ MMP9 P14780 2/20 0.54
▸ ACE P12821 2/20 0.49
▸ CCKBR P32239 8/20 0.48
▸ CCKAR P32238 2/20 0.48
▸ TACR1 P25103 1/20 0.48

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
SCHEMBL30533182 0.89 EDNRA (0.71) EDNRAMMP2MMP1MMP8MMP9
SCHEMBL30533201 0.86 EDNRA (0.67) EDNRAMMP2MMP1MMP8MMP9
SCHEMBL30999648 0.85 CCKBR (0.62) CCKBRCCKAR
SCHEMBL18328829 0.85 CTSL (0.49) EDNRAMMP2MMP1MMP8MMP9
SCHEMBL21481062 0.85 CTSL (0.49) EDNRAMMP2MMP1MMP8MMP9
SCHEMBL1548820 0.85 CTSL (0.49) EDNRAMMP2MMP1MMP8MMP9
SCHEMBL30046082 0.85 EDNRA (0.69) EDNRAMMP2MMP1MMP8MMP9
SCHEMBL29861978 0.85 TACR1 (0.52) ACETACR1
SCHEMBL26421785 0.85 EDNRA (0.47) EDNRAMMP2MMP1MMP8MMP9
SCHEMBL30490008 0.84 TACR1 (0.51) MMP2MMP8MMP9TACR1

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-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. 2023-04-27 — — 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-20230128688-A1 DIRECTED CONJUGATION TECHNOLOGIES CD2BP2, CD2, CD47 EDNRA 2106/4885MMP2 1511/4885MMP1 3938/4885

“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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