SCHEMBL4073448

SCHEMBL4073448

COC(=O)c1ccccc1S(=O)(=O)c1ccc2c(ccc(-c3ccc(F)cc3)[n+]2[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA5A P35218 1/20 0.42
MMP2 P08253 5/20 0.41
MMP9 P14780 5/20 0.41
MMP12 P39900 5/20 0.41
MMP13 P45452 5/20 0.41
MMP14 P50281 5/20 0.41
MMP8 P22894 4/20 0.41
MMP16 P51512 4/20 0.41
MMP3 P08254 4/20 0.41
MMP1 P03956 3/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4066087 0.83 MMP2 (0.50) SLC6A4SLC6A3CA1CA2CA9
SCHEMBL4070865 0.78 SMN1; SMN2 (0.49) SLC6A4SLC6A3CA1CA2CA9
SCHEMBL3157210 0.74 HTR2A (0.58) SLC6A4SLC6A3CA1CA2CA9
SCHEMBL3157221 0.74 HTR2A (0.58) SLC6A4SLC6A3CA1CA2CA9
SCHEMBL4487807 0.72 SMN1; SMN2 (0.47) SLC6A4SLC6A3CA1CA2CA9
SCHEMBL17942060 0.72 KDM4E (0.46) SLC6A4SLC6A3CYP1A2CYP2D6TSHR
SCHEMBL4072144 0.71 MMP2 (0.47) CA1CA2CA9MMP2MMP9
SCHEMBL13713006 0.69 SLC6A4 (0.46) SLC6A4SLC6A3CA1CA2CA9
SCHEMBL4068269 0.68 MMP2 (0.42) CA1CA2CA9MMP2MMP9
SCHEMBL4068271 0.68 MMP2 (0.42) CA1CA2CA9MMP2MMP9

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 5 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

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 SLC6A4 19/4885SLC6A3 39/4885CA1 4627/4885

“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.