SCHEMBL3725971

SCHEMBL3725971

O=[C]CCCNS(=O)(=O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
POLB P06746 1/20 0.45
CYP19A1 P11511 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL28028789 0.80 MEN1 (0.69) ALDH1A1HPGDKMT2AMEN1CA1
SCHEMBL564037 0.79 ALDH1A1 (0.77) ALDH1A1HPGDKMT2AMEN1CA1
SCHEMBL6261913 0.79 CA1 (0.58) ALDH1A1HPGDKMT2AMEN1CA1
SCHEMBL15414816 0.79 ALDH1A1 (0.58) ALDH1A1HPGDKMT2AMEN1CA1
SCHEMBL8647286 0.78 CA1 (0.57) ALDH1A1HPGDKMT2AMEN1CA1
SCHEMBL6020016 0.77 CA1 (0.52) ALDH1A1HPGDKMT2AMEN1CA1
SCHEMBL15438783 0.77 ALDH1A1 (0.56) ALDH1A1HPGDKMT2AMEN1CA1
SCHEMBL3865981 0.77 CA1 (0.52) ALDH1A1HPGDKMT2AMEN1CA1
SCHEMBL635209 0.77 ALDH1A1 (0.74) ALDH1A1HPGDKMT2AMEN1CA1
SCHEMBL634181 0.76 ALDH1A1 (0.72) ALDH1A1HPGDKMT2AMEN1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190688-A1 Tetrapeptide analogs IDUN PHARMACEUTICALS, INC. 2010-07-29 US claimed
EP-1773348-A4 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS INC (US) 2009-05-20 EP claimed
EP-1773348-A2 TETRAPEPTIDE ANALOGS Idun Pharmaceuticals, Inc. (US) 2007-04-18 EP claimed
WO-2006017295-A2 TETRAPEPTIDE ANALOGS IDUN PHARMACEUTICALS, INC. (US) 2006-02-16 WO 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
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 ALDH1A1 4425/4885HPGD 1747/4885KMT2A 3553/4885

“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.