SCHEMBL2423644

SCHEMBL2423644

COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCN(CCCc4ccccc4)CC3)s2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
CCR3 P51677 1/20 0.52
MEN1 O00255 1/20 0.51
SIGMAR1 Q99720 2/20 0.49
DRD4 P21917 6/20 0.49
DRD2 P14416 4/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL4192147 0.86 CCR3 (0.45) KMT2ANPC1APOBEC3AAPOBEC3GCCR3
SCHEMBL2423449 0.86 KMT2A (0.58) KMT2ANPC1APOBEC3AAPOBEC3GCCR3
SCHEMBL3480014 0.86 KMT2A (0.55) KMT2ANPC1APOBEC3AAPOBEC3GCCR3
SCHEMBL2422369 0.85 POLB (0.54) KMT2AMEN1SIGMAR1ALDH1A1
SCHEMBL2423789 0.83 MAPK9 (0.56) KMT2AMEN1SIGMAR1DRD4DRD2
SCHEMBL3479863 0.83 KMT2A (0.58) KMT2ANPC1APOBEC3AAPOBEC3GCCR3
SCHEMBL2423174 0.82 KMT2A (0.59) KMT2ANPC1APOBEC3AAPOBEC3GMEN1
SCHEMBL3479932 0.81 KMT2A (0.52) KMT2ANPC1APOBEC3AAPOBEC3GMEN1
SCHEMBL4312527 0.81 KMT2A (0.59) KMT2ANPC1APOBEC3AAPOBEC3GMEN1
SCHEMBL3479872 0.80 KMT2A (0.51) KMT2ANPC1APOBEC3AAPOBEC3GMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705052-B2 Sulfonamide derivatives for the treatment of diabetes MERCK SERONO SA (CH) 2010-04-27 US claimed
US-20070043027-A1 Sulfonamide derivatives for the treatment of diabetes APPLIED RESERACH SYSTEMS ARS HOLDING N.V. (AN) 2007-02-22 US claimed
EP-1663193-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES Applied Research Systems ARS Holding N.V. (AN) 2006-06-07 EP claimed
EP-1218374-B1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS (AN) 2005-11-16 EP claimed
WO-2005025558-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES APPLIED RESERACH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 WO claimed
EP-1218374-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2002-07-03 EP claimed
WO-2001023378-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 WO claimed
US-8658640-B2 JNK inhibitors for the treatment of endometriosis MERCK SERONO SA (CH) 2014-02-25 US disclosed
US-8592414-B2 JNK inhibitors for the treatment of endometriosis Merck Serono, S.A. (CH) 2013-11-26 US disclosed
US-20130281447-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2013-10-24 US disclosed
US-20130267512-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2013-10-10 US disclosed
US-8012995-B1 Pharmaceutically active sulfonamide derivatives MERCK SERONO SA (CH) 2011-09-06 US disclosed
US-7705052-B2 Sulfonamide derivatives for the treatment of diabetes MERCK SERONO SA (CH) 2010-04-27 US disclosed
US-20090176761-A1 JNK Inhivitors for the Treatment of Endometriosis LABORATORIES SERONO SA (CH) 2009-07-09 US disclosed
US-20090176762-A1 JNK Inhibitors for Treatment of Skin Diseases LABORATOIRES SERONO SA (CH) 2009-07-09 US disclosed
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-02-14 US disclosed
US-20070043027-A1 Sulfonamide derivatives for the treatment of diabetes APPLIED RESERACH SYSTEMS ARS HOLDING N.V. (AN) 2007-02-22 US disclosed
EP-1218374-B1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS (AN) 2005-11-16 EP disclosed
EP-1218374-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2002-07-03 EP disclosed
WO-2001023378-A1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-04-05 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-20090176762-A1 JNK Inhibitors for Treatment of Skin Diseases MAPKAPK2, JUN, MAP3K13 KMT2A 2086/4885NPC1 1683/4885APOBEC3A 4776/4885
US-20070043027-A1 Sulfonamide derivatives for the treatment of diabetes CBR3, INSR, CS KMT2A 2101/4885NPC1 2350/4885APOBEC3A 3620/4885
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin LCK, MAPKAPK2, MAP3K20 KMT2A 3013/4885NPC1 1678/4885APOBEC3A 4808/4885
US-20130281447-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS MAPKAPK2, MAPKAPK3, JUN KMT2A 847/4885NPC1 4117/4885APOBEC3A 4719/4885
US-20090176761-A1 JNK Inhivitors for the Treatment of Endometriosis MAPKAPK2, MAP3K20, MAP3K6 KMT2A 1484/4885NPC1 3257/4885APOBEC3A 4838/4885
US-20130267512-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS MAPKAPK2, MAPKAPK3, JUN KMT2A 847/4885NPC1 4117/4885APOBEC3A 4719/4885

“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.