SCHEMBL3731407

SCHEMBL3731407

COC(=O)C1CCN2CCCC(N)C(=O)N12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.36
ACE P12821 2/20 0.35
MME P08473 1/20 0.35
DPP4 P27487 2/20 0.35
POLB P06746 1/20 0.35
FKBP1A P62942 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34
MMP2 P08253 2/20 0.34
ANPEP P15144 2/20 0.34
CYP1A2 P05177 1/20 0.34
HIF1A Q16665 1/20 0.34
PEPD P12955 2/20 0.33
CASP3 P42574 1/20 0.33
XPNPEP1 Q9NQW7 1/20 0.33

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
SCHEMBL13260166 1.00 LTA4H (0.36) LTA4HACEMMEDPP4POLB
SCHEMBL13259969 0.84 ACE (0.36) LTA4HACEMMEPOLBFKBP1A
SCHEMBL7344675 0.82 ACE (0.46) ACEMMEDPP4CYP3A4TSHR
SCHEMBL7344670 0.82 ACE (0.46) ACEMMEDPP4CYP3A4TSHR
SCHEMBL949485 0.81 CASP3 (0.39) DPP4CYP3A4TSHRTDP1MAPT
SCHEMBL949486 0.81 CASP3 (0.39) DPP4CYP3A4TSHRTDP1MAPT
SCHEMBL10565798 0.80 POLB (0.38) LTA4HACEMMEPOLBFKBP1A
SCHEMBL6529721 0.77 ACE (0.44) ACEMMEDPP4CYP3A4TSHR
SCHEMBL645595 0.77 ACE (0.44) ACEMMEDPP4CYP3A4TSHR
SCHEMBL8318471 0.77 ACE (0.44) ACEMMEDPP4CYP3A4TSHR

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 6 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
EP-1773348-A4 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS INC (US) 2009-05-20 EP disclosed
EP-1773348-A2 TETRAPEPTIDE ANALOGS Idun Pharmaceuticals, Inc. (US) 2007-04-18 EP disclosed
WO-2006017295-A2 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS, INC. (US) 2006-02-16 WO 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 LTA4H 2899/4885ACE 3012/4885MME 1097/4885

“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.