SCHEMBL4150360

SCHEMBL4150360

O=S(=O)(c1ccccc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.54
HSD11B1 P28845 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
PKM P14618 2/20 0.45
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 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
SCHEMBL822779 0.94 PKM (0.50) HTR6HSD11B1HTTSMN1; SMN2PKM
SCHEMBL3671604 0.89 HTT (0.53) HSD11B1HTTSMN1; SMN2TDP1PKM
SCHEMBL28028096 0.85 PKM (0.47) HSD11B1HTTSMN1; SMN2PKMALDH1A1
SCHEMBL811054 0.85 PKM (0.58) HSD11B1HTTSMN1; SMN2PKMALDH1A1
SCHEMBL19564840 0.85 HTT (0.59) HSD11B1HTTSMN1; SMN2TDP1PKM
SCHEMBL20924560 0.85 PKM (0.68) HSD11B1HTTPKMKMT2ACA1
SCHEMBL3672508 0.84 HTT (0.52) HTTSMN1; SMN2TDP1ABCC9ABCC8
SCHEMBL8821206 0.83 CA1 (0.56) TDP1MEN1TSHRKMT2ACA1
SCHEMBL780030 0.83 CA1 (0.56) TDP1MEN1TSHRKMT2ACA1
SCHEMBL576035 0.83 CA2 (0.50) HSD11B1CA1CA2CA9CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012134-A1 Arylsulfonyl Benzofused Heterocycles as 5-Ht2a Antagonists CURTIS NEIL ROY 2009-01-08 US disclosed
EP-1866300-A1 ARYLSULFONYL BENZOFUSED HETEROCYCLES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-12-19 EP disclosed
WO-2006100519-A1 ARYLSULFONYL BENZOFUSED HETEROCYCLES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-09-28 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 (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-20090012134-A1 Arylsulfonyl Benzofused Heterocycles as 5-Ht2a Antagonists HTR2A, HTR2C, HTR2B HTR6 14/4885HSD11B1 2234/4885HTT 200/4885

“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.