SCHEMBL3480148

SCHEMBL3480148

COc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(NCCCN4CCOCC4)CC3)s2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 1/20 0.55
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.49
CCR3 P51677 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
DRD2 P14416 4/20 0.46
DRD4 P21917 4/20 0.46
PKM P14618 1/20 0.45
CYP2D6 P10635 1/20 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
SCHEMBL3480662 0.97 CYP2C9 (0.52) CYP2C9CYP2C19NPC1KDM4EL3MBTL1
SCHEMBL3479990 0.96 CYP2C9 (0.53) CYP2C9CYP2C19NPC1KDM4EL3MBTL1
SCHEMBL3479913 0.89 KMT2A (0.55) NPC1L3MBTL1KMT2APOLBSMN1; SMN2
SCHEMBL3479873 0.89 KMT2A (0.51) CYP2C9CYP2C19NPC1KMT2AALDH1A1
SCHEMBL3479818 0.89 KMT2A (0.55) NPC1L3MBTL1KMT2APOLBSMN1; SMN2
SCHEMBL3480103 0.88 KMT2A (0.54) NPC1L3MBTL1KMT2APOLBSMN1; SMN2
SCHEMBL3479889 0.88 KMT2A (0.54) NPC1L3MBTL1KMT2APOLBSMN1; SMN2
SCHEMBL3479695 0.88 KMT2A (0.54) NPC1L3MBTL1KMT2APOLBSMN1; SMN2
SCHEMBL4972278 0.88 KMT2A (0.54) NPC1L3MBTL1KMT2APOLBSMN1; SMN2
SCHEMBL3479815 0.88 KMT2A (0.54) NPC1L3MBTL1KMT2APOLBSMN1; SMN2

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-7705052-B2 Sulfonamide derivatives for the treatment of diabetes MERCK SERONO SA (CH) 2010-04-27 US claimed
US-7544700-B2 Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moieties as inhibitors of protein JunKinases LABORATOIRES SERONO SA (CH) 2009-06-09 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
US-20040077854-A1 Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moietties as inhibitors of protein junkinases MERCK SERONO SA (CH) 2004-04-22 US claimed
EP-1193268-A1 Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moieties as inhibitors of protein Junkinases Applied Research Systems ARS Holding N.V. (AN) 2002-04-03 EP 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-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-7544700-B2 Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moieties as inhibitors of protein JunKinases LABORATOIRES SERONO SA (CH) 2009-06-09 US disclosed
EP-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-02-14 US disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed
US-20070043027-A1 Sulfonamide derivatives for the treatment of diabetes APPLIED RESERACH SYSTEMS ARS HOLDING N.V. (AN) 2007-02-22 US disclosed
US-20040077854-A1 Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moietties as inhibitors of protein junkinases MERCK SERONO SA (CH) 2004-04-22 US disclosed
EP-1193268-A1 Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moieties as inhibitors of protein Junkinases Applied Research Systems ARS Holding N.V. (AN) 2002-04-03 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 (7 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 CYP2C9 4129/4885CYP2C19 4319/4885NPC1 1683/4885
US-20040077854-A1 Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moietties as inhibitors of protein junkinases MAPK1, MAP3K1, MAPKAPK2 CYP2C9 1596/4885CYP2C19 1957/4885NPC1 848/4885
US-20070043027-A1 Sulfonamide derivatives for the treatment of diabetes CBR3, INSR, CS CYP2C9 1061/4885CYP2C19 1331/4885NPC1 2350/4885
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin LCK, MAPKAPK2, MAP3K20 CYP2C9 3470/4885CYP2C19 3820/4885NPC1 1678/4885
US-20130281447-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS MAPKAPK2, MAPKAPK3, JUN CYP2C9 4390/4885CYP2C19 3846/4885NPC1 4117/4885
US-20090176761-A1 JNK Inhivitors for the Treatment of Endometriosis MAPKAPK2, MAP3K20, MAP3K6 CYP2C9 4437/4885CYP2C19 3997/4885NPC1 3257/4885
US-20130267512-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS MAPKAPK2, MAPKAPK3, JUN CYP2C9 4390/4885CYP2C19 3846/4885NPC1 4117/4885

“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.