SCHEMBL4072170

SCHEMBL4072170

O=S(=O)(c1ccc2cc(-c3ccc(F)cc3)ccc2c1)c1cnccc1C1(O)CCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.41
CYP17A1 P05093 3/20 0.41
CYP11B1 P15538 3/20 0.41
CYP3A4 P08684 2/20 0.41
PIK3CA P42336 1/20 0.40
FASN P49327 2/20 0.35
PTGS2 P35354 2/20 0.33
GRM5 P41594 1/20 0.33
PTGS1 P23219 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NPY5R Q15761 1/20 0.33
NAMPT P43490 1/20 0.32
ABL1 P00519 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
SCHEMBL4074182 0.85 MMP1 (0.41) CYP11B2CYP17A1CYP11B1CYP3A4PTGS2
SCHEMBL4069080 0.79 PIK3CA (0.35) CYP11B2CYP17A1CYP11B1CYP3A4PIK3CA
SCHEMBL4067235 0.68 PIK3CA (0.41) CYP3A4PIK3CAPTGS2GRM5PTGS1
SCHEMBL4075567 0.67 HTR2A (0.50) GRM5CA12CA1CA2CA9
SCHEMBL4073428 0.65 PTGS2 (0.48) PTGS2PTGS1CA12CA1CA2
SCHEMBL4076387 0.65 CA2 (0.50) PTGS2PTGS1CA12CA1CA2
SCHEMBL4069576 0.65 HSD11B1 (0.46) CYP11B2CYP11B1PTGS2GRM5CA1
SCHEMBL4066061 0.64 KDM4E (0.49) PIK3CAPTGS2PTGS1CA12CA1
SCHEMBL4072144 0.64 MMP2 (0.47) CYP3A4PTGS2CA1CA2CA9
SCHEMBL4486237 0.64 HSD11B1 (0.51) PTGS2PTGS1CA1CA2CA9

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 CYP11B2 166/4885CYP17A1 936/4885CYP11B1 346/4885

“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.