SCHEMBL3152169

SCHEMBL3152169

O=S(=O)(c1ccc(CCc2ccc(F)cc2F)cc1)c1ccccc1-n1ccnc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.58
HTR2C P28335 8/20 0.58
CYP19A1 P11511 2/20 0.40
NAMPT P43490 3/20 0.37
P2RX7 Q99572 1/20 0.36
KCNH2 Q12809 4/20 0.36
DRD2 P14416 2/20 0.36
CCR3 P51677 1/20 0.36
FBP1 P09467 1/20 0.35

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
SCHEMBL5201223 0.97 HTR2A (0.55) HTR2AHTR2CCYP19A1NAMPTP2RX7
SCHEMBL3172145 0.79 HTR2A (0.78) HTR2AHTR2CKCNH2DRD2
SCHEMBL13770798 0.76 HTR2A (0.72) HTR2AHTR2CKCNH2DRD2
SCHEMBL3160818 0.75 HTR2A (1.00) HTR2AHTR2CKCNH2DRD2
SCHEMBL3162418 0.74 HTR2A (0.86) HTR2AHTR2CKCNH2DRD2
SCHEMBL4069804 0.73 MAOA (0.40) CYP19A1NAMPTCCR3FBP1
SCHEMBL3161980 0.67 HTR2A (0.71) HTR2AHTR2CCYP19A1KCNH2DRD2
SCHEMBL3167199 0.66 HTR2A (0.74) HTR2AHTR2CKCNH2DRD2
SCHEMBL5212638 0.66 HTR2A (0.67) HTR2AHTR2CKCNH2DRD2
SCHEMBL3159912 0.66 HTR2A (0.57) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807393-B1 DIARYLSULFONES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2010-03-31 EP disclosed
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists CASTRO PINEIRO JOSE LUIS 2009-07-02 US disclosed
US-7468393-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME LTD. (GB) 2008-12-23 US disclosed
US-20070203205-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2007-08-30 US disclosed
US-7217740-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP AND DOHME 2007-05-15 US disclosed
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-03-09 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 (3 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-20070203205-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A HTR2A 1/4885HTR2C 4/4885CYP19A1 902/4885
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A HTR2A 1/4885HTR2C 4/4885CYP19A1 902/4885
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists HTR2A, HTR2B, HTR1A HTR2A 1/4885HTR2C 4/4885CYP19A1 902/4885

“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.