SCHEMBL916100

SCHEMBL916100

Cc1ccc(S(=O)(=O)ON=C(N)NN=Cc2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA9 Q16790 1/20 0.49
KMT2A Q03164 6/20 0.48
TAAR1 Q96RJ0 1/20 0.48
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
CYP1A2 P05177 2/20 0.46
SCN4A P35499 1/20 0.46
SCN9A Q15858 1/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 3/20 0.44

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
SCHEMBL2068634 0.90 MAPT (0.45) CA1CA2CA4CA9KMT2A
SCHEMBL917030 0.89 CA12 (0.47) CA1CA2CA9KMT2AFAAH
SCHEMBL915399 0.88 CA1 (0.48) CA1CA2CA4CA9KMT2A
SCHEMBL915681 0.88 ALDH1A1 (0.55) CA1CA2CA4CA9KMT2A
SCHEMBL915664 0.88 KMT2A (0.50) CA1CA2CA4CA9KMT2A
SCHEMBL7199190 0.88 ALDH1A1 (0.49) CA1CA2CA9KMT2ACYP1A2
SCHEMBL917012 0.88 ALDH1A1 (0.47) KMT2ACYP1A2MEN1MAPTLMNA
SCHEMBL2066512 0.87 KMT2A (0.58) KMT2AFAAHMGLLCYP1A2MEN1
SCHEMBL915999 0.87 MAOB (0.51) CA1CA2CA9KMT2AMEN1
SCHEMBL915009 0.86 ALDH1A1 (0.51) KMT2ACYP1A2MEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130295009-A1 METHOD OF TREATING INFLAMMATION HPF IP HOLDING S.A. (LU) 2013-11-07 US claimed
US-9227927-B2 Method of treating inflammation ANAMAR AB (SE) 2016-01-05 US disclosed
US-20130295009-A1 METHOD OF TREATING INFLAMMATION HPF IP HOLDING S.A. (LU) 2013-11-07 US disclosed
US-8410174-B2 Method for treating arthritis ANAMAR AB (SE) 2013-04-02 US disclosed
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS ANAMAR AB (SE) 2012-07-12 US disclosed
US-8148429-B2 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ANAMAR AB (SE) 2012-04-03 US disclosed
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2011-01-20 US disclosed
US-20070231267-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ACURE PHARMA AB (SE) 2007-10-04 US disclosed
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MELACURE THERAPEUTICS AB (SE) 2007-04-19 US disclosed
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ACURE PHARMA AB (SE) 2004-02-05 US disclosed
EP-1313461-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS Melacure Therapeutics AB (SE) 2003-05-28 EP disclosed
WO-2002011715-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MELACURE THERAPEUTICS AB (SE) 2002-02-14 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 (6 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-20070231267-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 CA1 4063/4885CA2 1389/4885CA4 2793/4885
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 CA1 3987/4885CA2 1316/4885CA4 2693/4885
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 CA1 4063/4885CA2 1389/4885CA4 2793/4885
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 CA1 4063/4885CA2 1389/4885CA4 2793/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R CA1 1935/4885CA2 809/4885CA4 1379/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R CA1 1652/4885CA2 959/4885CA4 1413/4885

“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.