SCHEMBL4076387

SCHEMBL4076387

O=S(=O)(c1ccccc1)c1ccc2cc(-c3ccc(F)cc3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.50
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
HTR2A P28223 4/20 0.48
HTR2C P28335 2/20 0.48
KCNH2 Q12809 2/20 0.48
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47
HTR6 P50406 1/20 0.45
CA12 O43570 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL7938152 0.86 HTR6 (0.61) CA2CA1CA9HTR2AHTR2C
SCHEMBL4075567 0.83 HTR2A (0.50) CA2CA1CA9HTR2AHTR2C
SCHEMBL7929318 0.82 MMP1 (0.57) CA2CA1CA9HTR2AMMP1
SCHEMBL13297338 0.81 CA12 (0.52) CA2CA1CA9HTR2AHTR2C
SCHEMBL4073428 0.81 PTGS2 (0.48) CA2CA1CA9HTR2AHTR2C
SCHEMBL11980110 0.80 HTR6 (0.70) CA2CA1HTR2AHTR2CKCNH2
SCHEMBL778229 0.80 HTR6 (0.70) CA2CA1HTR2AHTR2CKCNH2
SCHEMBL7937274 0.80 HTR6 (0.70) CA2CA1HTR2AHTR2CKCNH2
SCHEMBL4066061 0.80 KDM4E (0.49) CA2CA1CA9HTR2AKCNH2
SCHEMBL4070198 0.79 CA2 (0.42) CA2CA1CA9MMP1MMP2

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 8 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
CN-101068776-A As 5HT2AArylsulfonyl naphthalene derivatives as antagonists MERCH SHARP & DOHME LTD (GB) 2007-11-07 CN 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 CA2 4619/4885CA1 4627/4885CA9 4869/4885

“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.