SCHEMBL8235355

SCHEMBL8235355

CC(=N)c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
ACACB O00763 2/20 0.37
ELANE P08246 2/20 0.36
PPARA Q07869 4/20 0.36
PPARG P37231 3/20 0.36
FABP2 P12104 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
MAPT P10636 3/20 0.35
ST14 Q9Y5Y6 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 1/20 0.35
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL8235372 0.81 PRSS1 (0.61) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL15508820 0.81 TRPV1 (0.45) MAPTRAB9ATRPV1
SCHEMBL1711303 0.78 MAPT (0.38) ACACBELANEPPARAPPARGFABP2
SCHEMBL2031463 0.78 MAPT (0.61) ACACBELANEPPARAPPARGFABP2
SCHEMBL26746 0.78 SLC6A2 (0.44) ACACBELANEPPARAPPARGFABP2
SCHEMBL7769320 0.77 ELANE (0.43) ACACBELANEPPARAPPARGFABP2
SCHEMBL20076975 0.76 ELANE (0.60) ELANEPPARAPPARGFABP2SLC22A12
SCHEMBL27712194 0.75 SLC6A2 (0.42) ACACBELANEPPARAPPARGFABP2
SCHEMBL18644564 0.75 NOS3 (0.39) PRSS1PRSS2PRSS3MAPTST14
SCHEMBL22897523 0.75 FURIN (0.39) ACACBELANEPPARAPPARGFABP2

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-8207209-B2 Methods of inhibiting viral infection FUNCTIONAL GENETICS, INC. (US) 2012-06-26 US disclosed
US-20120035198-A1 Antiviral Compounds and Methods of Using Thereof AMAN MOHAMMAD JAVAD (US) 2012-02-09 US disclosed
US-7999001-B2 Antiviral compounds and methods of using thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2011-08-16 US disclosed
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins BAVARI SINA 2011-04-14 US disclosed
US-7825154-B2 Small molecule inhibitors of botulinum neurotoxins THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2010-11-02 US disclosed
US-20090170890-A1 METHOHDS OF INHIBITING VIRAL INFECTION FUNCTIONAL GENETICS, INC. (US) 2009-07-02 US disclosed
US-20070112048-A1 Broad Spectrum Antibacterial Compounds U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2007-05-17 US disclosed
US-20070112049-A1 nonpeptidic inhibitors of Botulinum neurotoxin A metalloprotease activity, such as 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-5-carboximidamide, used for treating, inhibiting or preventing intoxication caused by bacteria ARMY, UNITED STATES 2007-05-17 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 (5 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-20070112048-A1 Broad Spectrum Antibacterial Compounds MPO, CAT, LPO PRSS1 2634/4885PRSS2 2758/4885PRSS3 2711/4885
US-20120035198-A1 Antiviral Compounds and Methods of Using Thereof ZC3HAV1, MAVS, ZC3HAV1L PRSS1 548/4885PRSS2 558/4885PRSS3 568/4885
US-20070112049-A1 nonpeptidic inhibitors of Botulinum neurotoxin A metalloprotease activity, such as 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-5-carboximidamide, used for treating, inhibiting or preventing intoxication caused by bacteria ACHE, CTRL, MMP2 PRSS1 78/4885PRSS2 151/4885PRSS3 125/4885
US-20110086877-A1 Small Molecule Inhibitors of Botulinum Neurotoxins ACHE, MMP2, TIMP3 PRSS1 94/4885PRSS2 189/4885PRSS3 158/4885
US-20090170890-A1 METHOHDS OF INHIBITING VIRAL INFECTION CASP8, CASP1, CASP3 PRSS1 46/4885PRSS2 114/4885PRSS3 75/4885

“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.