SCHEMBL3544308

SCHEMBL3544308

O=C(NCc1ccc(S(=O)(=O)NCC2CCCN2Cc2ccc(C(F)(F)F)cc2)s1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.53
DDR1 Q08345 9/20 0.45
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42

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
SCHEMBL15161526 0.92 CCR2 (0.50) CCR2DDR1MAPK9MAPK10BCL2
SCHEMBL8353863 0.88 CCR2 (0.46) CCR2DDR1
SCHEMBL3547611 0.86 ALDH1A1 (0.49) CCR2DDR1BCL2BCL2L1
SCHEMBL3480241 0.82 MAPK9 (0.46) CCR2MAPK9MAPK10
SCHEMBL3545198 0.81 CCR2 (0.54) CCR2DDR1
SCHEMBL3546787 0.80 CCR2 (0.48) CCR2MAPK9MAPK10BCL2BCL2L1
SCHEMBL3545167 0.79 ALDH1A1 (0.50) CCR2DDR1
SCHEMBL3480186 0.77 MAPK9 (0.49) MAPK9MAPK10
SCHEMBL3546605 0.77 CCR2 (0.51) CCR2MAPK9MAPK10
SCHEMBL3540714 0.76 MEN1 (0.43) BCL2BCL2L1

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-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
US-20150313881-A1 Therapeutic Methods for Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2015-11-05 US disclosed
US-20120208846-A1 Therapeutic Methods For Type I Diabetes UNIVERSITY OF MASSACHUSETTS 2012-08-16 US disclosed
US-7897572-B1 Theraputic methods for type I diabetes UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2011-03-01 US disclosed
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-7683078-B2 Arylsulfonamide derivatives as C-Jun-N-Terminal Kinases (JNK's) inhibitors LABORATOIRES SERONO S.A. (CH) 2010-03-23 US disclosed
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
US-20100029719-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS LABORATOIRES SERONO S.A. (CH) 2010-02-04 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 (4 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 CCR2 247/4885DDR1 3412/4885MAPK9 28/4885
US-20150313881-A1 Therapeutic Methods for Type I Diabetes MAPK9, IAPP, RNASE1 CCR2 471/4885DDR1 3680/4885MAPK9 1/4885
US-20120208846-A1 Therapeutic Methods For Type I Diabetes MAPK9, IAPP, RNASE1 CCR2 471/4885DDR1 3680/4885MAPK9 1/4885
US-20100029719-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS MAPK1, MAPK3, MAP3K2 CCR2 379/4885DDR1 3079/4885MAPK9 29/4885

“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.