SCHEMBL15565794

SCHEMBL15565794

O=S(=O)(c1ccccc1)n1c(Cl)c(CO)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 4/20 0.48
▸ HTR6 P50406 7/20 0.44
▸ SRC P12931 1/20 0.44
▸ PSEN1 P49768 2/20 0.44
▸ PSEN2 P49810 2/20 0.44
▸ APH1B Q8WW43 2/20 0.44
▸ NCSTN Q92542 2/20 0.44
▸ APH1A Q96BI3 2/20 0.44
▸ PSENEN Q9NZ42 2/20 0.44
▸ PTGDR Q13258 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ XIAP P98170 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ FABP3 P05413 1/20 0.39
▸ FABP4 P15090 1/20 0.39
▸ FABP5 Q01469 1/20 0.39
▸ CXCL8 P10145 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39

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
SCHEMBL27641207 0.77 HTR6 (0.64) HTR6
SCHEMBL2348465 0.76 HTR6 (0.46) AGTR1HTR6SRCPSEN1PSEN2
SCHEMBL12093313 0.75 HTR6 (0.70) HTR6SRCPSEN1PSEN2APH1B
SCHEMBL2019307 0.74 AGTR1 (0.62) AGTR1HTR6PSEN1PSEN2APH1B
SCHEMBL1156348 0.73 PTGDR2 (0.39) AGTR1HTR6SRCPTGDRPTGDR2
SCHEMBL4119321 0.72 ACLY (0.51) AGTR1HTR6SRCPSEN1PSEN2
SCHEMBL2132958 0.71 AGTR1 (0.52) AGTR1HTR6SRCPSEN1PSEN2
SCHEMBL12496970 0.71 HTR6 (0.42) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL4543865 0.70 MTNR1B (0.47) AGTR1HTR6SRCPSEN1PSEN2
SCHEMBL1156389 0.70 ALDH1A1 (0.42) AGTR1HTR6SRCPSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104470905-B The miscellaneous azepine * assimilation compounds of substitution 霍夫曼-拉罗奇有限公司 2017-09-12 — — CN disclosed
US-9394263-B2 Substituted hetero-azepinones F. HOFFMANN-LA ROCHE AG (CH) 2016-07-19 — — US disclosed
US-9394263-B2 Substituted hetero-azepinones F. HOFFMANN-LA ROCHE AG (CH) 2016-07-19 — — US disclosed
US-9394263-B2 Substituted hetero-azepinones F. HOFFMANN-LA ROCHE AG (CH) 2016-07-19 — — US disclosed
US-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES HOFFMAN-LA ROCHE INC. (US) 2015-12-17 — — US disclosed
US-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES HOFFMAN-LA ROCHE INC. (US) 2015-12-17 — — US disclosed
US-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES HOFFMAN-LA ROCHE INC. (US) 2015-12-17 — — US disclosed
EP-2882725-A1 SUBSTITUTED HETERO-AZEPINONES F. Hoffmann-La Roche AG (CH) 2015-06-17 — — EP disclosed
WO-2014023708-A1 SUBSTITUTED HETERO-AZEPINONES F. HOFFMANN-LA ROCHE AG (CH) 2014-02-13 — — WO disclosed
WO-2014023708-A1 SUBSTITUTED HETERO-AZEPINONES F. HOFFMANN-LA ROCHE AG (CH) 2014-02-13 — — 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-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES CCNY, CCNE1, CCND3 AGTR1 2321/4885HTR6 362/4885SRC 1599/4885

“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.

Send feedback