SCHEMBL16486136

SCHEMBL16486136

CC(C)OC(=O)C1(C(=O)OC(C)C)CC(NC(=O)OCc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 5/20 0.51
EPHX1 P07099 1/20 0.48
DPP4 P27487 6/20 0.47
DPP7 Q9UHL4 6/20 0.47
KCNH2 Q12809 4/20 0.47
ENPP2 Q13822 1/20 0.47
ATXN2 Q99700 1/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
CYP3A4 P08684 4/20 0.46
CYP2C9 P11712 3/20 0.46
LMNA P02545 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6758979 0.80 ALDH1A1 (0.62) ALDH1A1GAATSHREPHX1ENPP2
SCHEMBL361720 0.80 ALDH1A1 (0.62) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL21945751 0.79 ALDH1A1 (0.60) ALDH1A1GAATSHREPHX1ENPP2
SCHEMBL21946019 0.79 ALDH1A1 (0.60) ALDH1A1GAATSHREPHX1ENPP2
SCHEMBL21945750 0.79 ALDH1A1 (0.60) ALDH1A1GAATSHREPHX1ENPP2
SCHEMBL31415917 0.78 ALDH1A1 (0.59) ALDH1A1GAATSHREPHX1ENPP2
SCHEMBL28700392 0.77 CTSS (0.47) ALDH1A1TSHRCTSLCTSBCTSK
SCHEMBL32674201 0.77 CTSB (0.47) ALDH1A1TSHRDPP4DPP7KCNH2
SCHEMBL31641122 0.77 ALDH1A1 (0.58) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL21945637 0.77 ALDH1A1 (0.58) ALDH1A1GAATSHREPHX1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670211-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2017-06-06 US disclosed
US-9670211-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2017-06-06 US disclosed
US-9670211-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2017-06-06 US disclosed
EP-3033341-B1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2017-05-03 EP disclosed
EP-3033341-B1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2017-05-03 EP disclosed
US-20160229853-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-08-11 US disclosed
US-20160229853-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-08-11 US disclosed
US-20160229853-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-08-11 US disclosed
EP-3033341-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
WO-2015022263-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-2015022263-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 (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-20160229853-A1 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION ZC3HAV1, TET1, IDO1 ALDH1A1 1999/4885GAA 4305/4885TSHR 1321/4885

“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.