SCHEMBL8258366

SCHEMBL8258366

CC(C)C[C@H](N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.50
▸ CTSL P07711 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ ACACB O00763 2/20 0.48
▸ MME P08473 4/20 0.43
▸ GRN P28799 1/20 0.43
▸ SORT1 Q99523 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ CPA1 P15085 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ ABCB1 P08183 1/20 0.42
▸ MMP1 P03956 1/20 0.42

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
SCHEMBL5869302 1.00 FOLH1 (0.50) FOLH1CTSLCTSKACACBMME
SCHEMBL30658624 0.83 CTSL (0.55) FOLH1CTSLCTSKACACBMME
SCHEMBL8256203 0.83 MME (0.58) FOLH1ACACBMMEACECPA1
SCHEMBL5870045 0.83 MME (0.58) FOLH1ACACBMMEACECPA1
SCHEMBL8254444 0.83 MME (0.58) FOLH1ACACBMMEACECPA1
SCHEMBL5869782 0.82 FOLH1 (0.48) FOLH1MMEGRNSORT1ACE
SCHEMBL5869787 0.82 FOLH1 (0.48) FOLH1MMEGRNSORT1ACE
SCHEMBL13660693 0.82 ACACB (0.50) CTSLCTSKACACBMMEACE
SCHEMBL2034306 0.82 ACACB (0.50) CTSLCTSKACACBMMEACE
SCHEMBL28613611 0.82 ITGB3 (0.50) ACACBMMEACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 — — US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 — — 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 FOLH1 229/4885CTSL 911/4885CTSK 541/4885

“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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