SCHEMBL4068941

SCHEMBL4068941

O=Cc1cscc1S(=O)(=O)c1ccc2cc(-c3ccc(F)cc3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.39
PTGS1 P23219 1/20 0.39
CA2 P00918 4/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
HTR2A P28223 5/20 0.34
KCNH2 Q12809 4/20 0.34
CYP2D6 P10635 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
PGR P06401 1/20 0.33
HTR2C P28335 3/20 0.33
GRM5 P41594 1/20 0.33
GPR183 P32249 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
SCHEMBL4070632 0.82 MMP1 (0.43) PTGS2PTGS1CA2CA12CA1
SCHEMBL4068852 0.79 CYP2D6 (0.43) PTGS2PTGS1CA2CA12CA1
SCHEMBL4075567 0.73 HTR2A (0.50) CA2CA12CA1CA9HTR2A
SCHEMBL4068413 0.73 NFE2L2 (0.45) CA2CA12CA1CA9MMP2
SCHEMBL5264611 0.72 MMP2 (0.52) CA2CA12CA1CA9HTR2A
SCHEMBL4073428 0.71 PTGS2 (0.48) PTGS2PTGS1CA2CA12CA1
SCHEMBL4076387 0.71 CA2 (0.50) PTGS2PTGS1CA2CA12CA1
SCHEMBL4077131 0.70 HTR2A (0.42) HTR2AKCNH2HTR2C
SCHEMBL1467521 0.69 ALDH1A1 (0.48) CA2CA12CA1CA9MMP1
SCHEMBL4069576 0.68 HSD11B1 (0.46) PTGS2CA2CA1CA9HTR2A

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 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 PTGS2 338/4885PTGS1 546/4885CA2 4619/4885

“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.