SCHEMBL4069835

SCHEMBL4069835

O=S(=O)(c1ccc2cc(-c3ccc(F)cc3)ccc2c1)c1ccccc1-c1nnco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.44
HSD11B1 P28845 1/20 0.39
SCN9A Q15858 1/20 0.38
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3157354 0.82 CYP2D6 (0.51) NOTUMHSD11B1SCN9AMAPK1TSHR
SCHEMBL3157348 0.82 CYP2D6 (0.51) NOTUMHSD11B1SCN9AMAPK1TSHR
SCHEMBL4075567 0.76 HTR2A (0.50) HSD11B1CA2CA1PKMMMP1
SCHEMBL3160007 0.75 HTR2A (0.58) NOTUM
SCHEMBL3160013 0.75 HTR2A (0.58) NOTUM
SCHEMBL4067235 0.74 PIK3CA (0.41) HSD11B1CA2CA1GAAMMP1
SCHEMBL4073428 0.74 PTGS2 (0.48) HSD11B1CA2CA1MMP1MMP2
SCHEMBL3171952 0.74 NOTUM (0.46) NOTUMCA2CA1LMNAGAA
SCHEMBL4070632 0.72 MMP1 (0.43) HSD11B1CA2CA1MMP1MMP2
SCHEMBL4076387 0.71 CA2 (0.50) CA2CA1LMNAPKMSMN1; SMN2

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 7 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
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 NOTUM 4751/4885HSD11B1 1111/4885SCN9A 541/4885

“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.