SCHEMBL2423449

SCHEMBL2423449

COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(CCc4ccccc4)CC3)s2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
PKM P14618 2/20 0.53
NPC1 O15118 2/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
CCR3 P51677 1/20 0.49
ALDH1A1 P00352 4/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 2/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
ACHE P22303 1/20 0.46
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45

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
SCHEMBL3479863 0.89 KMT2A (0.58) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL3480014 0.88 KMT2A (0.55) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL4312527 0.88 KMT2A (0.59) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL2423644 0.86 KMT2A (0.53) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL2423174 0.86 KMT2A (0.59) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL4192147 0.86 CCR3 (0.45) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL3479854 0.85 KMT2A (0.53) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL3479888 0.85 KMT2A (0.55) KMT2AMEN1PKMNPC1APOBEC3A
SCHEMBL3479965 0.85 KMT2A (0.54) KMT2AMEN1PKMNPC1APOBEC3A
Trifluoroacetic Acid SCHEMBL4316169 0.85 KMT2A (0.55) KMT2AMEN1PKMNPC1APOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012995-B1 Pharmaceutically active sulfonamide derivatives MERCK SERONO SA (CH) 2011-09-06 US claimed
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

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 2086/4885MEN1 4590/4885PKM 2126/4885
US-20070043027-A1 Sulfonamide derivatives for the treatment of diabetes CBR3, INSR, CS KMT2A 2101/4885MEN1 3205/4885PKM 2329/4885
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin LCK, MAPKAPK2, MAP3K20 KMT2A 3013/4885MEN1 1582/4885PKM 2710/4885
US-20130281447-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS MAPKAPK2, MAPKAPK3, JUN KMT2A 847/4885MEN1 3898/4885PKM 1872/4885
US-20090176761-A1 JNK Inhivitors for the Treatment of Endometriosis MAPKAPK2, MAP3K20, MAP3K6 KMT2A 1484/4885MEN1 4390/4885PKM 1559/4885
US-20130267512-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS MAPKAPK2, MAPKAPK3, JUN KMT2A 847/4885MEN1 3898/4885PKM 1872/4885

“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.