SCHEMBL3480348

SCHEMBL3480348

O=C(NCc1ccc(S(=O)(=O)N2CCC(Nc3cccc(C(F)(F)F)c3)CC2)s1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
CCR2 P41597 1/20 0.46
USP5 P45974 1/20 0.45
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
MAPT P10636 8/20 0.43
RXFP1 Q9HBX9 2/20 0.43
HTT P42858 2/20 0.43
XBP1 P17861 1/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7400773 0.94 MEN1 (0.44) KMT2AMEN1CCR2USP5MAPK9
SCHEMBL2419207 0.93 MEN1 (0.46) KMT2AMEN1CCR2USP5MAPK9
SCHEMBL2423290 0.93 KMT2A (0.48) KMT2AMEN1CCR2MAPK9MAPK10
SCHEMBL2424425 0.92 MEN1 (0.47) KMT2AMEN1CCR2USP5MAPK9
SCHEMBL2427809 0.91 KMT2A (0.50) KMT2AMEN1MAPK9MAPK10MAPT
SCHEMBL2426328 0.90 MAPT (0.46) KMT2AMEN1CCR2USP5MAPK9
SCHEMBL2424312 0.89 MAPK9 (0.55) KMT2AMEN1CCR2USP5MAPK9
SCHEMBL2425308 0.89 MEN1 (0.45) KMT2AMEN1CCR2USP5MAPK9
SCHEMBL6432690 0.89 MEN1 (0.52) KMT2AMEN1MAPK9MAPK10MAPT
SCHEMBL2420301 0.89 MAPK9 (0.51) KMT2AMEN1CCR2MAPK9MAPK10

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 15 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-1218374-B1 PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS (AN) 2005-11-16 EP 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-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 4590/4885CCR2 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.