SCHEMBL3729376

SCHEMBL3729376

CC(NCC1CC1)C(=O)NC(C(=O)N1CCCC1C(=O)O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 6/20 0.46
▸ REN P00797 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ F2 P00734 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PEPD P12955 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ ELANE P08246 1/20 0.41
▸ XIAP P98170 1/20 0.41

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
SCHEMBL3729230 0.88 ACE (0.47) ACERENKDM4EF2LMNA
SCHEMBL3733310 0.87 ACE (0.46) ACERENKDM4EF2LMNA
SCHEMBL3722484 0.85 BIRC2 (0.50) ACERENKDM4EF2LMNA
SCHEMBL3732940 0.83 ACE (0.43) ACERENKDM4EF2LMNA
SCHEMBL3732909 0.82 ACE (0.52) ACELMNALTA4HACE2ELANE
SCHEMBL3726330 0.81 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL3728224 0.81 ACE (0.44) ACERENKDM4EF2LMNA
SCHEMBL20611079 0.79 ACE (0.51) ACERENKDM4EF2LMNA
SCHEMBL8516026 0.76 ACE (0.44) ACERENKDM4EF2LMNA
SCHEMBL18428761 0.76 ACE (0.44) ACERENKDM4EF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 — — EP claimed
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 — — US claimed
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

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 ACE 3012/4885REN 2229/4885KDM4E 4215/4885

“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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