SCHEMBL3158170

SCHEMBL3158170

O=S(=O)(c1ccc(F)cc1)c1ccc(I)cn1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.62
KCNH2 Q12809 4/20 0.62
AKR1B1 P15121 1/20 0.49
AGTR1 P30556 1/20 0.43
HSP90AA1 P07900 2/20 0.42
CXCR5 P32302 2/20 0.42
APLNR P35414 2/20 0.42
CCR6 P51684 2/20 0.42
HTR2C P28335 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
ALDH3A1 P30838 1/20 0.36

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
SCHEMBL3164283 0.85 HTR2A (0.48) HTR2AKCNH2AKR1B1AGTR1HSP90AA1
SCHEMBL25356808 0.79 HTR2A (0.62) HTR2AKCNH2AKR1B1AGTR1HSP90AA1
SCHEMBL13291387 0.77 HSD11B1 (0.47) HTR2AKCNH2AKR1B1HTR2CCA1
SCHEMBL3160619 0.77 HTR2A (1.00) HTR2AKCNH2AKR1B1AGTR1HSP90AA1
SCHEMBL3160631 0.77 HTR2A (1.00) HTR2AKCNH2AKR1B1AGTR1HSP90AA1
SCHEMBL3159145 0.77 HTR2A (1.00) HTR2AKCNH2AKR1B1AGTR1HSP90AA1
SCHEMBL31109001 0.72 HTR2A (0.54) HTR2AKCNH2AKR1B1AGTR1CA12
SCHEMBL21028031 0.71 KDM4E (0.69) HTR2AKCNH2AKR1B1KDM4EPKM
SCHEMBL5672298 0.70 HTR2A (0.51) HTR2AKCNH2AKR1B1AGTR1KMT2A
SCHEMBL29277549 0.70 HTR2A (0.51) HTR2AKCNH2AKR1B1AGTR1HTR2C

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 552/4885AKR1B1 2071/4885
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A HTR2A 1/4885KCNH2 552/4885AKR1B1 2071/4885
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists HTR2A, HTR2B, HTR1A HTR2A 1/4885KCNH2 552/4885AKR1B1 2071/4885

“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.