SCHEMBL4067384

SCHEMBL4067384

Fc1ccc(-c2ccc3cc(S)ccc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.46
ESR1 P03372 7/20 0.40
ESR2 Q92731 7/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
NR3C1 P04150 2/20 0.36
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
AGXT P21549 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 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
SCHEMBL26548124 0.86 PGR (0.55) PGRESR1ESR2CYP1A2CYP2A6
SCHEMBL26548510 0.86 PGR (0.55) PGRESR1ESR2CYP1A2CYP2A6
SCHEMBL15351991 0.81 CYP1A2 (0.56) CYP1A2CYP2A6
SCHEMBL24521826 0.80 ESR1 (0.57) PGRESR1ESR2CYP1A2CA2
SCHEMBL4073033 0.79 ESR1 (0.51) ESR1ESR2CYP1A2CYP2A6HRH3
SCHEMBL26548994 0.79 PGR (0.53) PGRESR1ESR2CYP1A2CYP2A6
SCHEMBL26548653 0.79 PGR (0.53) PGRESR1ESR2CYP1A2CYP2A6
SCHEMBL7002149 0.78 BCL2L1 (0.44) CA2BCL2L1BAD
SCHEMBL29991808 0.77 CYP1A2 (0.65) PGRESR1ESR2CYP1A2CYP2A6
SCHEMBL7643326 0.77 CYP1A2 (0.65) PGRESR1ESR2CYP1A2CYP2A6

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 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.