SCHEMBL4069080

SCHEMBL4069080

O=S(=O)(c1ccc2cc(-c3ccc(F)cc3)ccc2c1)c1ncccc1C1(O)CCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.35
ABL1 P00519 1/20 0.35
NPY5R Q15761 1/20 0.35
COMT P21964 2/20 0.34
CYP17A1 P05093 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP11B2 P19099 2/20 0.34
CYP11B1 P15538 1/20 0.34
MMP2 P08253 1/20 0.34
SYK P43405 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PTGS2 P35354 2/20 0.33
NFE2L2 Q16236 1/20 0.33
PTGS1 P23219 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL4021141 0.83 HTR2A (0.44) COMTNFE2L2
SCHEMBL4074182 0.83 MMP1 (0.41) CYP17A1CYP3A4CYP11B2CYP11B1MMP2
SCHEMBL4021135 0.83 HTR2A (0.44) COMTNFE2L2
SCHEMBL4072170 0.79 CYP11B2 (0.41) PIK3CAABL1NPY5RCYP17A1CYP3A4
SCHEMBL5277441 0.78 RORC (0.47) MMP2
SCHEMBL4068413 0.78 NFE2L2 (0.45) PIK3CACOMTMMP2NFE2L2
SCHEMBL4019173 0.76 HTR2A (0.54) COMTPTGS2NFE2L2PTGS1
SCHEMBL4019169 0.76 HTR2A (0.54) COMTPTGS2NFE2L2PTGS1
SCHEMBL4484230 0.75 HTR2A (0.44) PIK3CAABL1COMTMMP2HSP90AA1
SCHEMBL4073466 0.75 HTR2A (0.44) PIK3CAABL1COMTMMP2HSP90AA1

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-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
EP-1824817-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-08-29 EP disclosed
WO-2006059149-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-06-08 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 PIK3CA 4160/4885ABL1 1524/4885NPY5R 217/4885

“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.