SCHEMBL9608922

SCHEMBL9608922

CCCCOC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 10/20 0.44
▸ ACE P12821 3/20 0.41
▸ ACE2 Q9BYF1 2/20 0.41
▸ KLK5 Q9Y337 1/20 0.41
▸ ELANE P08246 2/20 0.40
▸ CTSL P07711 1/20 0.40

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
SCHEMBL17348400 0.89 FKBP1A (0.45) FKBP1AACEACE2KLK5ELANE
SCHEMBL15373369 0.85 POLB (0.44) FKBP1AACEACE2KLK5ELANE
SCHEMBL8046113 0.84 KLK5 (0.51) FKBP1AACEKLK5ELANE
SCHEMBL14202917 0.84 KLK5 (0.51) FKBP1AACEKLK5ELANE
SCHEMBL12969779 0.82 KCNH2 (0.51) FKBP1AACEACE2KLK5ELANE
SCHEMBL16317405 0.81 ELANE (0.43) ACEACE2ELANECTSL
SCHEMBL7539145 0.81 CMA1 (0.46) FKBP1AACEACE2KLK5
SCHEMBL1300341 0.81 ACE (0.51) ACEACE2ELANE
SCHEMBL159043 0.81 ACE (0.51) ACEACE2ELANE
SCHEMBL806133 0.81 ACE (0.51) ACEACE2ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 — — EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 — — EP disclosed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 — — 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-20100190688-A1 Tetrapeptide analogs TP53, PCNA, HRAS FKBP1A 1684/4885ACE 3012/4885ACE2 2991/4885

“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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