SCHEMBL7256339

SCHEMBL7256339

COC(=O)c1ccc(S(=O)(=O)C2CCN(CCc3ccc(F)cc3F)CC2)cc1.O=S(=O)(c1ccc(CO)cc1)C1CCN(CCc2ccc(F)cc2F)CC1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.69
HTR2C P28335 13/20 0.69
KCNH2 Q12809 13/20 0.69
DRD2 P14416 7/20 0.69
PRKAA2 P54646 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL6588947 0.95 HTR2A (0.77) HTR2AHTR2CKCNH2DRD2EPHX2
Methyl Benzoate SCHEMBL7256335 0.90 HTR2A (0.59) HTR2AHTR2CKCNH2DRD2
SCHEMBL6585510 0.90 HTR2A (0.83) HTR2AHTR2CKCNH2DRD2
SCHEMBL6587204 0.86 HTR2A (0.78) HTR2AHTR2CKCNH2DRD2
SCHEMBL5210193 0.82 HTR2A (1.00) HTR2AHTR2CKCNH2DRD2
SCHEMBL6586349 0.80 HTR2A (0.75) HTR2AHTR2CKCNH2DRD2EPHX2
SCHEMBL6589393 0.78 HTR2A (0.87) HTR2AHTR2CKCNH2DRD2
SCHEMBL6588137 0.78 HTR2A (1.00) HTR2AHTR2CKCNH2DRD2
SCHEMBL6586480 0.76 HTR2A (0.78) HTR2AHTR2CKCNH2DRD2
SCHEMBL6586485 0.75 HTR2A (1.00) HTR2AHTR2CKCNH2DRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030203889-A1 Phenylsulphonyl derivatives as 5-HT receptor ligands MERCK & CO., INC. 2003-10-30 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-20030203889-A1 Phenylsulphonyl derivatives as 5-HT receptor ligands HTR2A, HTR5A, HTR2C HTR2A 1/4885HTR2C 3/4885KCNH2 461/4885

“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.