SCHEMBL874265

SCHEMBL874265

N#CCC(=O)NCCCCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.65
MCL1 Q07820 1/20 0.64
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HPGD P15428 3/20 0.60
ALDH1A1 P00352 1/20 0.60
KMT2A Q03164 1/20 0.60
GAA P10253 1/20 0.59
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HSP90AA1 P07900 1/20 0.51

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
SCHEMBL2263117 0.95 L3MBTL1 (0.68) TRPV1MCL1LMNATSHRL3MBTL1
SCHEMBL2265490 0.89 MCL1 (0.70) MCL1L3MBTL1HPGDGAANPC1
SCHEMBL5143728 0.80 TRPV1 (0.73) TRPV1LMNATSHRL3MBTL1HPGD
SCHEMBL10933092 0.80 TRPV1 (0.73) TRPV1LMNATSHRL3MBTL1HPGD
SCHEMBL7620131 0.79 MCL1 (0.68) MCL1LMNAALDH1A1KMT2AGAA
SCHEMBL5996951 0.79 TRPV1 (0.71) TRPV1LMNATSHRL3MBTL1HPGD
SCHEMBL3919664 0.79 TRPV1 (0.71) TRPV1LMNATSHRL3MBTL1HPGD
SCHEMBL14702940 0.79 TRPV1 (0.76) TRPV1LMNATSHRL3MBTL1HPGD
SCHEMBL654148 0.78 MCL1 (1.00) MCL1LMNAL3MBTL1HPGDALDH1A1
SCHEMBL15093363 0.78 EPHX2 (0.77) TRPV1LMNATSHRL3MBTL1HPGD

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
EP-3055310-A1 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME The Regents of The University of Michigan (US) 2016-08-17 EP disclosed
WO-2015054555-A1 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-04-16 WO disclosed
EP-2619184-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME The Regents of the University of Michigan (US) 2013-07-31 EP disclosed
WO-2012040527-A2 DEUBIQUITINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 WO disclosed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed
WO-1997023202-A1 SUBTYPE-SELECTIVE NMDA RECEPTOR LIGANDS AND THE USE THEREOF STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and on behalf of THE OREGON HEALTH SCIENCES UNIVERSITYA ND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-07-03 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 TRPV1 4383/4885MCL1 584/4885LMNA 3334/4885

“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.