SCHEMBL4070853

SCHEMBL4070853

N#CCCS(=O)(=O)c1ccc2cc(-c3ccc(F)cc3F)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.41
LGMN Q99538 1/20 0.40
TP53 P04637 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DHFR P00374 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
TTR P02766 1/20 0.36
ALB P02768 1/20 0.36
HMGB1 P09429 1/20 0.36
HPGD P15428 1/20 0.36
CXCL12 P48061 1/20 0.36

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
SCHEMBL16591739 0.75 ALDH1A1 (0.52) TP53KDM4EALDH1A1CA1CA2
SCHEMBL4073507 0.74 HTR2A (0.44) ESR1ESR2ALOX5APFEN1MEN1
SCHEMBL4070766 0.73 ESR1 (0.41) ESR1ESR2ALOX5APFEN1KDM4E
SCHEMBL5264650 0.68 ESR1 (0.47) ESR1ESR2ALOX5APFEN1KDM4E
SCHEMBL4077131 0.68 HTR2A (0.42) ALOX5APFEN1PTGES2
SCHEMBL3162251 0.67 TP53 (0.49) TP53KMT2APTGS1
SCHEMBL3162247 0.67 TP53 (0.49) TP53KMT2APTGS1
SCHEMBL4069294 0.67 ABL1 (0.45) MEN1KMT2APTGS2
SCHEMBL4076311 0.66 HTR2A (0.59) ALOX5APFEN1KDM4EMEN1USP2
SCHEMBL1711828 0.66 PTGS2 (0.50) FDFT1LGMNKDM4EMEN1USP2

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 FDFT1 1930/4885LGMN 4694/4885TP53 4839/4885

“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.