SCHEMBL4070877

SCHEMBL4070877

O=S(O)c1ccc2cc(-c3ccc(F)cc3)ccc2c1.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.42
ESR1 P03372 7/20 0.37
ESR2 Q92731 7/20 0.37
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MIF P14174 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KIF11 P52732 1/20 0.34
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33

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
SCHEMBL4066400 0.83 ESR1 (0.47) ESR1ESR2KDM4EMEN1ALDH1A1
SCHEMBL4070873 0.79 PGR (0.42) PGRESR1ESR2BCL2L1BAD
SCHEMBL27279294 0.79 ESR1 (0.50) ESR1ESR2ALDH1A1MIFNPSR1
SCHEMBL4066746 0.79 PDGFRB (0.40) PGRESR2
SCHEMBL161234 0.77 CES2 (0.40) BCL2L1BADALDH1A1CA2PTGS1
SCHEMBL26548510 0.77 PGR (0.55) PGRESR1ESR2BCL2L1BAD
SCHEMBL26548124 0.77 PGR (0.55) PGRESR1ESR2BCL2L1BAD
SCHEMBL4614322 0.74 CES2 (0.42) BCL2L1BADALDH1A1CA2PTGS1
SCHEMBL1583773 0.74 ALDH1A1 (0.45) ESR1ESR2KDM4EMEN1ALDH1A1
SCHEMBL11323370 0.72 CES2 (0.40) BCL2L1BADALDH1A1CA2PTGS1

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 6 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
CN-101068776-A As 5HT2AArylsulfonyl naphthalene derivatives as antagonists MERCH SHARP & DOHME LTD (GB) 2007-11-07 CN 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 PGR 986/4885ESR1 3098/4885ESR2 610/4885

“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.