SCHEMBL4075567

SCHEMBL4075567

O=S(=O)(c1ccc2cc(-c3ccc(F)cc3)ccc2c1)c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.50
HTR2C P28335 7/20 0.47
HTR2B P41595 1/20 0.47
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
CA2 P00918 3/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
KCNH2 Q12809 6/20 0.44
HSD11B1 P28845 2/20 0.43
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
CYP2D6 P10635 1/20 0.41
GRM5 P41594 1/20 0.41
CA12 O43570 2/20 0.40

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
SCHEMBL4073428 0.86 PTGS2 (0.48) HTR2AHTR2CMMP1MMP2MMP3
SCHEMBL4070632 0.83 MMP1 (0.43) HTR2AHTR2CMMP1MMP2MMP3
SCHEMBL4076387 0.83 CA2 (0.50) HTR2AHTR2CMMP1MMP2MMP3
SCHEMBL4069576 0.82 HSD11B1 (0.46) HTR2AHTR2CMMP1MMP2MMP3
SCHEMBL4071275 0.82 MMP1 (0.42) HTR2AHTR2CMMP1MMP2MMP3
SCHEMBL4486237 0.81 HSD11B1 (0.51) HTR2AHTR2CMMP1MMP2MMP3
SCHEMBL4250049 0.81 MMP1 (0.41) HTR2AHTR2CMMP1MMP2MMP3
SCHEMBL4072144 0.81 MMP2 (0.47) HTR2AHTR2CMMP1MMP2MMP3
SCHEMBL2474755 0.81 HTR2A (0.59) HTR2AHTR2CHTR2BMMP1MMP2
SCHEMBL4075238 0.80 HTR2A (0.66) HTR2AHTR2CMMP1MMP2MMP3

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 HTR2A 1/4885HTR2C 2/4885HTR2B 4/4885

“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.