SCHEMBL15083020

SCHEMBL15083020

CCC(C)NC(=O)C(C)(C)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
RIPK1 Q13546 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 2/20 0.38
EPHX1 P07099 1/20 0.38
MEN1 O00255 1/20 0.38
ALPL P05186 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL15894960 1.00 MMP1 (0.45) MMP1MMP2MMP3RIPK1SMN1; SMN2
SCHEMBL24568196 0.85 MMP1 (0.44) MMP1MMP2MMP3RIPK1SMN1; SMN2
SCHEMBL15895091 0.83 MMP1 (0.42) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL23175981 0.83 RIPK1 (0.42) RIPK1SMN1; SMN2PKMKMT2AMEN1
SCHEMBL15895098 0.83 RIPK1 (0.42) RIPK1SMN1; SMN2PKMKMT2AMEN1
SCHEMBL26428610 0.83 RIPK1 (0.42) MMP1MMP2MMP3RIPK1
SCHEMBL24160865 0.83 MMP1 (0.45) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL749946 0.82 RIPK1 (0.47) MMP1MMP2RIPK1CA12CA1
SCHEMBL19699581 0.82 MMP1 (0.48) MMP1MMP2MMP3SMN1; SMN2PKM
SCHEMBL19699582 0.82 MMP1 (0.48) MMP1MMP2MMP3SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9439433-B2 Compositions and methods comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2016-09-13 US disclosed
EP-2734518-B1 COMPLEXING AGENTS AND CORRESPONDING LANTHANIDE COMPLEXES CISBIO BIOASSAYS (FR) 2016-04-27 EP disclosed
US-9296762-B2 Complexing agents and corresponding lanthanide complexes CISBIO BIOASSAYS (FR) 2016-03-29 US disclosed
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE THE UNIVERSITY OF UTAH 2015-02-05 US disclosed
US-20140336373-A1 NOVEL COMPLEXING AGENTS AND CORRESPONDING LANTHANIDE COMPLEXES CISBIO BIOASSAYS (FR) 2014-11-13 US disclosed
WO-2014111661-A1 NOVEL WATER-SOLUBLE COMPLEXING AGENTS AND CORRESPONDING LANTHANIDE COMPLEXES CISBIO BIOASSAYS (FR) 2014-07-24 WO disclosed
EP-2331510-B1 SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE (AGT) AND THEIR USE IN METHOD OF LABELLING ION BEAM APPLIC SA (BE) 2013-11-06 EP disclosed
EP-1817319-B1 INOSITOL-PHOSPHATE DERIVATIVES AND METHOD OF DETECTING INOSITOL-1-PHOSPHATE CIS BIO INT (FR) 2013-07-03 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 (2 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-20140336373-A1 NOVEL COMPLEXING AGENTS AND CORRESPONDING LANTHANIDE COMPLEXES RCC1, RCC2, C1R MMP1 4697/4885MMP2 4871/4885MMP3 4129/4885
US-20150038512-A1 COMPOSITIONS AND METHODS COMPRISING A BIOCIDAL POLYAMINE SRM, SMOX, SMS MMP1 65/4885MMP2 197/4885MMP3 240/4885

“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.