SCHEMBL4077563

SCHEMBL4077563

Cc1cccc([C@H](C)O)c1S(=O)(=O)c1ccc2cc(-c3ccc(F)cc3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
KCNH2 Q12809 2/20 0.45
MMP1 P03956 4/20 0.37
MMP2 P08253 4/20 0.37
MMP3 P08254 4/20 0.37
MMP7 P09237 4/20 0.37
MMP9 P14780 4/20 0.37
MMP13 P45452 4/20 0.37
MMP8 P22894 2/20 0.37
MMP14 P50281 2/20 0.37
APLNR P35414 2/20 0.37
TSHR P16473 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HSD11B1 P28845 1/20 0.36
METAP2 P50579 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4075235 0.82 HTR2A (0.66) HTR2AHTR2CKCNH2MMP1MMP2
SCHEMBL4075238 0.82 HTR2A (0.66) HTR2AHTR2CKCNH2MMP1MMP2
SCHEMBL4067027 0.82 HTR2A (0.66) HTR2AHTR2CKCNH2MMP1MMP2
SCHEMBL4071902 0.79 HTR2A (0.44) HTR2AHTR2CKCNH2MMP1MMP2
SCHEMBL4484230 0.79 HTR2A (0.44) HTR2AHTR2CKCNH2MMP1MMP2
SCHEMBL4073466 0.79 HTR2A (0.44) HTR2AHTR2CKCNH2MMP1MMP2
SCHEMBL4072138 0.71 HTR2A (0.57) HTR2AHTR2CKCNH2MMP1MMP2
SCHEMBL4072974 0.71 HTR2A (0.57) HTR2AHTR2CKCNH2MMP1MMP2
SCHEMBL4076387 0.70 CA2 (0.50) HTR2AHTR2CKCNH2MMP1MMP2
SCHEMBL4076542 0.70 HTR2A (0.55) HTR2AHTR2CKCNH2MMP1MMP2

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 HTR2A 1/4885HTR2C 2/4885KCNH2 445/4885

“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.