SCHEMBL2019307

SCHEMBL2019307

Cc1ccc(S(=O)(=O)n2c(C)c(CO)c3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 3/20 0.62
▸ HTR6 P50406 3/20 0.53
▸ PTGDR2 Q9Y5Y4 5/20 0.52
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ PSEN1 P49768 1/20 0.50
▸ PSEN2 P49810 1/20 0.50
▸ APH1B Q8WW43 1/20 0.50
▸ NCSTN Q92542 1/20 0.50
▸ APH1A Q96BI3 1/20 0.50
▸ PSENEN Q9NZ42 1/20 0.50
▸ PCSK9 Q8NBP7 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ ALDH3A1 P30838 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PTGDR Q13258 1/20 0.47
▸ HPGD P15428 1/20 0.46

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
SCHEMBL2023125 0.86 HTR6 (0.53) AGTR1HTR6PTGDR2HDAC1HDAC2
SCHEMBL13369409 0.81 AGTR1 (0.60) AGTR1HTR6HDAC1HDAC2HDAC6
SCHEMBL26104217 0.81 PCSK9 (0.57) AGTR1HTR6PSEN1PSEN2APH1B
SCHEMBL30159837 0.81 PCSK9 (0.57) AGTR1HTR6PSEN1PSEN2APH1B
SCHEMBL17297375 0.80 HTR6 (0.67) AGTR1HTR6PSEN1PSEN2APH1B
SCHEMBL29357508 0.80 HTR6 (0.67) AGTR1HTR6PSEN1PSEN2APH1B
Ammonia Solution, Strong SCHEMBL19876630 0.80 PCSK9 (0.56) AGTR1HTR6PSEN1PSEN2APH1B
SCHEMBL29169603 0.80 AGTR1 (0.49) AGTR1HTR6PTGDR2HDAC1HDAC2
SCHEMBL29954592 0.78 AGTR1 (0.53) AGTR1HTR6PTGDR2PSEN1PSEN2
SCHEMBL13276086 0.77 KDM4E (0.58) AGTR1HTR6PSEN1PSEN2APH1B

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-2516439-B1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2014-01-22 — — EP disclosed
US-8530648-B2 Diaza-spiro[5.5]undecanes NOVARTIS AG (CH) 2013-09-10 — — US disclosed
US-8530648-B2 Diaza-spiro[5.5]undecanes NOVARTIS AG (CH) 2013-09-10 — — US disclosed
US-8530648-B2 Diaza-spiro[5.5]undecanes NOVARTIS AG (CH) 2013-09-10 — — US disclosed
EP-2516439-A1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS Novartis AG (CH) 2012-10-31 — — EP disclosed
US-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES NOVARTIS AG (CH) 2012-10-18 — — US disclosed
US-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES NOVARTIS AG (CH) 2012-10-18 — — US disclosed
WO-2011076747-A1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-06-30 — — 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-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES REN, PKD1, NR3C2 AGTR1 130/4885HTR6 1518/4885PTGDR2 418/4885

“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.

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