SCHEMBL16487128

SCHEMBL16487128

O=S(=O)(c1ccccc1)n1c(CO)c(I)c2ccc(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.45
PPARG P37231 3/20 0.45
PPARA Q07869 3/20 0.45
PPARD Q03181 2/20 0.45
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
AGTR1 P30556 1/20 0.43
HTR6 P50406 5/20 0.41
ACLY P53396 1/20 0.40
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
CMA1 P23946 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL16235757 0.78 AGTR1 (0.40) SRCPPARGPPARAPPARDPSEN1
SCHEMBL16235710 0.78 PPARG (0.42) SRCPPARGPPARAPPARDPSEN1
SCHEMBL16487203 0.78 PTGS2 (0.45) SRCPPARGPPARAPPARDPSEN1
SCHEMBL16235756 0.78 AGTR1 (0.40) SRCPPARGPPARAPPARDPSEN1
SCHEMBL16236358 0.78 PPARG (0.42) SRCPPARGPPARAPPARDPSEN1
SCHEMBL16236262 0.77 PPARG (0.41) SRCPPARGPPARAPPARDPSEN1
SCHEMBL19860787 0.77 MAPT (0.43) SRCPSEN1PSEN2APH1BNCSTN
SCHEMBL16235707 0.73 PPARG (0.59) SRCPPARGPPARAPPARDACLY
SCHEMBL17556132 0.73 PPARG (0.59) SRCPPARGPPARAPPARDACLY
SCHEMBL7464976 0.70 CMA1 (0.53) SRCPPARGPPARAPPARDPSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072725-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 US disclosed
US-20180072725-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 US disclosed
US-20180072725-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 US disclosed
US-9890155-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2018-02-13 US disclosed
US-9890155-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2018-02-13 US disclosed
US-9890155-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2018-02-13 US disclosed
EP-3033333-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2016-06-22 EP disclosed
US-20160159794-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-06-09 US disclosed
US-20160159794-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-06-09 US disclosed
US-20160159794-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-06-09 US disclosed
WO-2015022301-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2015-02-19 WO disclosed
WO-2015022301-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2015-02-19 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 (2 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-20160159794-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, TET1 SRC 1583/4885PPARG 2569/4885PPARA 2995/4885
US-20180072725-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, IDO1, TET1 SRC 1583/4885PPARG 2569/4885PPARA 2995/4885

“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.