SCHEMBL2422148

SCHEMBL2422148

COC(=O)c1cccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4cccc([N+](=O)[O-])c4)s3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
CCR2 P41597 1/20 0.41
G6PD P11413 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
POLB P06746 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1518689 0.94 KMT2A (0.52) KMT2AMEN1LMNAMAPK1MAPK9
SCHEMBL2428331 0.93 KMT2A (0.51) KMT2AMEN1CCR2G6PDLMNA
SCHEMBL4968806 0.92 KMT2A (0.43) KMT2AMEN1CCR2LMNAMAPK1
SCHEMBL2419999 0.92 KMT2A (0.49) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL6434264 0.92 MEN1 (0.50) KMT2AMEN1CCR2G6PDLMNA
SCHEMBL2419389 0.91 KMT2A (0.50) KMT2AMEN1CCR2G6PDLMNA
SCHEMBL2424613 0.91 MEN1 (0.47) KMT2AMEN1CCR2G6PDLMNA
SCHEMBL2425516 0.91 MEN1 (0.54) KMT2AMEN1CCR2G6PDLMNA
SCHEMBL2425542 0.90 KMT2A (0.49) KMT2AMEN1LMNASIRT2POLB
SCHEMBL7437632 0.90 KMT2A (0.48) KMT2AMEN1LMNAMAPK9MAPK10

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 13 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-1218374-B1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS (AN) 2005-11-16 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-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

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 4590/4885CCR2 488/4885
US-20070043027-A1 Sulfonamide derivatives for the treatment of diabetes CBR3, INSR, CS KMT2A 2101/4885MEN1 3205/4885CCR2 1556/4885
US-20080039377-A1 Composition Comprising a Jnk Inhibitor and Cyclosporin LCK, MAPKAPK2, MAP3K20 KMT2A 3013/4885MEN1 1582/4885CCR2 494/4885
US-20130281447-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS MAPKAPK2, MAPKAPK3, JUN KMT2A 847/4885MEN1 3898/4885CCR2 424/4885
US-20090176761-A1 JNK Inhivitors for the Treatment of Endometriosis MAPKAPK2, MAP3K20, MAP3K6 KMT2A 1484/4885MEN1 4390/4885CCR2 676/4885
US-20130267512-A1 JNK INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS MAPKAPK2, MAPKAPK3, JUN KMT2A 847/4885MEN1 3898/4885CCR2 424/4885

“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.