SCHEMBL3159145

SCHEMBL3159145

O=S(=O)(c1ccc(F)cc1)c1ccc(CCc2ccc(F)cc2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 1.00
KCNH2 Q12809 4/20 1.00
HTR2C P28335 2/20 0.61
AKR1B1 P15121 1/20 0.46
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
AGTR1 P30556 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CXCR5 P32302 1/20 0.40
APLNR P35414 1/20 0.40
RAB9A P51151 1/20 0.40
CCR6 P51684 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL3160631 0.77 HTR2A (1.00) HTR2AKCNH2HTR2CAKR1B1NAMPT
SCHEMBL3160619 0.77 HTR2A (1.00) HTR2AKCNH2HTR2CAKR1B1NAMPT
SCHEMBL25356808 0.77 HTR2A (0.62) HTR2AKCNH2HTR2CAKR1B1AGTR1
SCHEMBL3158170 0.77 HTR2A (0.62) HTR2AKCNH2HTR2CAKR1B1KDM4E
SCHEMBL3162599 0.76 HTR2A (1.00) HTR2AKCNH2HTR2CNAMPTKDM4E
SCHEMBL6540742 0.71 HTR2A (0.55) HTR2AKCNH2AKR1B1ALDH1A1CA12
SCHEMBL4615671 0.70 CA2 (0.58) HTR2AKCNH2HTR2CALDH1A1CA12
SCHEMBL31109001 0.70 HTR2A (0.54) HTR2AKCNH2AKR1B1KDM4EALDH1A1
SCHEMBL21028031 0.69 KDM4E (0.69) HTR2AKCNH2AKR1B1NAMPTKDM4E
SCHEMBL6540434 0.69 HTR2A (0.52) HTR2AKCNH2CYP11B1CYP11B2NAMPT

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 8 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
EP-1807393-A1 DIARYLSULFONES AS 5-HT2A ANTAGONISTS Merck Sharp & Dohme Limited (GB) 2007-07-18 EP 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
WO-2006021805-A1 DIARYLSULFONES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-03-02 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 (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 1/4885KCNH2 552/4885HTR2C 4/4885
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A HTR2A 1/4885KCNH2 552/4885HTR2C 4/4885
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists HTR2A, HTR2B, HTR1A HTR2A 1/4885KCNH2 552/4885HTR2C 4/4885

“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.