SCHEMBL4071902

SCHEMBL4071902

C[C@H](O)c1cccnc1S(=O)(=O)c1ccc2cc(-c3ccc(F)cc3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
KCNH2 Q12809 2/20 0.44
TP53 P04637 4/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.37
PIK3CA P42336 2/20 0.37
COMT P21964 2/20 0.36
MMP2 P08253 4/20 0.36
MMP9 P14780 3/20 0.36
MMP8 P22894 3/20 0.36
MMP13 P45452 3/20 0.36
MMP1 P03956 2/20 0.36
MMP3 P08254 2/20 0.36
MMP7 P09237 2/20 0.36
MMP14 P50281 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL4484230 1.00 HTR2A (0.44) HTR2AHTR2CKCNH2TP53MAPT
SCHEMBL4073466 1.00 HTR2A (0.44) HTR2AHTR2CKCNH2TP53MAPT
SCHEMBL4067027 0.81 HTR2A (0.66) HTR2AHTR2CKCNH2MMP2MMP9
SCHEMBL4075235 0.81 HTR2A (0.66) HTR2AHTR2CKCNH2MMP2MMP9
SCHEMBL4075238 0.81 HTR2A (0.66) HTR2AHTR2CKCNH2MMP2MMP9
SCHEMBL4019652 0.81 HTR2A (0.66) HTR2AHTR2CKCNH2COMTPTGDR2
SCHEMBL4019650 0.81 HTR2A (0.66) HTR2AHTR2CKCNH2COMTPTGDR2
SCHEMBL4077563 0.79 HTR2A (0.45) HTR2AHTR2CKCNH2SMN1; SMN2MMP2
SCHEMBL4068413 0.78 NFE2L2 (0.45) PIK3CACOMTMMP2KDM4ENFE2L2
SCHEMBL4072070 0.77 MEN1 (0.57) MAPTSMN1; SMN2PIK3CANFE2L2

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 claimed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 US claimed
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

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 HTR2A 1/4885HTR2C 2/4885KCNH2 445/4885

“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.