SCHEMBL3546609

SCHEMBL3546609

O=C(NCc1ccc(S(=O)(=O)N(NCc2ccc(C(F)(F)F)cc2)C2CCCCC2)s1)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
LSS P48449 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
CXCR3 P49682 1/20 0.40
CCR2 P41597 3/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 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
SCHEMBL6753576 0.80 PSEN1 (0.42) MAPK9MAPK10LSSCXCR3PSEN1
SCHEMBL3546605 0.80 CCR2 (0.51) MAPK9MAPK10PPARGPPARAMEN1
SCHEMBL3480150 0.77 MAPK9 (0.56) MAPK9MAPK10MEN1KMT2ACCR2
SCHEMBL3541193 0.77 LSS (0.45) LSSPPARGPPARAMEN1CYP1A2
SCHEMBL11929041 0.77 MAPK9 (0.41) MAPK9MAPK10PPARGPPARAMEN1
SCHEMBL3480241 0.77 MAPK9 (0.46) MAPK9MAPK10MEN1KMT2ACCR2
SCHEMBL6753601 0.76 SCN9A (0.38) NPSR1PSEN1PSEN2APH1BNCSTN
SCHEMBL3479959 0.76 MAPK9 (0.49) MAPK9MAPK10MEN1KMT2ACCR2
SCHEMBL3479910 0.76 MAPK9 (0.53) MAPK9MAPK10PPARGPPARAMEN1
SCHEMBL3479914 0.76 MAPK9 (0.53) MAPK9MAPK10PPARGPPARAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683078-B2 Arylsulfonamide derivatives as C-Jun-N-Terminal Kinases (JNK's) inhibitors LABORATOIRES SERONO S.A. (CH) 2010-03-23 US claimed
US-20040248886-A1 Pharmaceutically active sulfonamide derivatives as c-jun-n-terminal kinases (jnk's) inhibitors MERCK SERONO SA (CH) 2004-12-09 US claimed
EP-1409483-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2004-04-21 EP claimed
WO-2003010164-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-02-06 WO claimed
US-7683078-B2 Arylsulfonamide derivatives as C-Jun-N-Terminal Kinases (JNK's) inhibitors LABORATOIRES SERONO S.A. (CH) 2010-03-23 US disclosed
US-20100029719-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS LABORATOIRES SERONO S.A. (CH) 2010-02-04 US disclosed
EP-1409483-B1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS SERONO LAB (CH) 2008-12-31 EP disclosed
US-20040248886-A1 Pharmaceutically active sulfonamide derivatives as c-jun-n-terminal kinases (jnk's) inhibitors MERCK SERONO SA (CH) 2004-12-09 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 (2 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-20040248886-A1 Pharmaceutically active sulfonamide derivatives as c-jun-n-terminal kinases (jnk's) inhibitors MAPK1, MAPK3, MAP3K2 MAPK9 28/4885MAPK10 49/4885LSS 2553/4885
US-20100029719-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS MAPK1, MAPK3, MAP3K2 MAPK9 29/4885MAPK10 44/4885LSS 3012/4885

“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.