SCHEMBL4078039

SCHEMBL4078039

CC(C)(C)[S+]([O-])NCc1cccnc1S(=O)(=O)c1ccc2cc(-c3ccc(F)cc3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.37
PIK3CA P42336 3/20 0.35
MMP2 P08253 2/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
ABL1 P00519 1/20 0.32
MAPT P10636 1/20 0.32
NFE2L2 Q16236 1/20 0.32
COMT P21964 1/20 0.32
KMT2A Q03164 2/20 0.32
PTK2 Q05397 1/20 0.32
MEN1 O00255 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL4067400 0.76 NFE2L2 (0.35) PIK3CANFE2L2COMTKMT2AMEN1
SCHEMBL4067398 0.76 NFE2L2 (0.35) PIK3CANFE2L2COMTKMT2AMEN1
SCHEMBL4067402 0.76 NFE2L2 (0.35) PIK3CANFE2L2COMTKMT2AMEN1
SCHEMBL4074964 0.72 NFE2L2 (0.34) PTGDR2PIK3CANFE2L2COMTKMT2A
SCHEMBL4068413 0.72 NFE2L2 (0.45) PIK3CAMMP2NFE2L2COMT
SCHEMBL4484230 0.72 HTR2A (0.44) PTGDR2PIK3CAMMP2MMP1MMP3
SCHEMBL4073466 0.72 HTR2A (0.44) PTGDR2PIK3CAMMP2MMP1MMP3
SCHEMBL4071902 0.72 HTR2A (0.44) PTGDR2PIK3CAMMP2MMP1MMP3
SCHEMBL4072070 0.71 MEN1 (0.57) PIK3CAMAPTNFE2L2KMT2AMEN1
SCHEMBL4016662 0.71 HTR2A (0.43) PTGDR2NFE2L2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 US claimed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 US claimed
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 US disclosed
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
EP-1824817-B1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-02-04 EP disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 US disclosed
WO-2007134986-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO 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 (1 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-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists HTR2A, HTR2C, HTR1A PTGDR2 67/4885PIK3CA 4160/4885MMP2 2787/4885

“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.