SCHEMBL4069615

SCHEMBL4069615

N#Cc1cc(F)ccc1-c1ccc2cc(OS(=O)(=O)C(F)(F)F)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.45
STS P08842 2/20 0.43
XDH P47989 3/20 0.36
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
AR P10275 2/20 0.35
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP19A1 P11511 1/20 0.34
NR3C1 P04150 1/20 0.34

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
SCHEMBL24038160 0.79 CA2 (0.46) HSD11B1KDM4EALDH1A1CA1CA2
SCHEMBL4070714 0.79 CA2 (0.46) HSD11B1KDM4EALDH1A1CA1CA2
SCHEMBL6808615 0.78 HSD11B1 (0.46) HSD11B1CA1CA2
SCHEMBL4069294 0.78 ABL1 (0.45) ABL1STSMEN1KMT2ANR3C1
SCHEMBL14506101 0.77 HSD11B1 (0.47) HSD11B1CA1CA2
SCHEMBL26549554 0.76 CA2 (0.44) HSD11B1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL30036529 0.75 CYP1A2 (0.44) HSD11B1MEN1KMT2ACA1CA2
SCHEMBL5711184 0.74 AR (0.55) AR
SCHEMBL4056753 0.73 CA1 (0.51) HSD11B1CA1CA2
SCHEMBL3299113 0.73 SLC22A12 (0.45) AREPAS1

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 ABL1 1524/4885STS 397/4885XDH 1756/4885

“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.