SCHEMBL12415503

SCHEMBL12415503

CC(C)S(=O)(=O)c1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.47
FFAR1 O14842 1/20 0.47
ATM Q13315 1/20 0.46
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 1/20 0.44
AHR P35869 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR1E P28566 1/20 0.44

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
SCHEMBL29557960 0.79 PBRM1 (0.52) GPR84FFAR1ATMKMT2AALDH1A1
SCHEMBL15415994 0.79 PBRM1 (0.52) GPR84FFAR1ATMKMT2AALDH1A1
SCHEMBL27148809 0.79 SLC22A6 (0.50) GPR84ATMKMT2AALDH1A1MAPT
SCHEMBL28939777 0.77 SLC22A6 (0.49) GPR84ATMKMT2AALDH1A1MAPT
SCHEMBL30897273 0.76 ALDH1A1 (0.54) GPR84FFAR1ATMKMT2AALDH1A1
SCHEMBL15416652 0.76 ALDH1A1 (0.54) GPR84FFAR1ATMKMT2AALDH1A1
SCHEMBL5513343 0.76 SLC22A6 (0.47) GPR84ATMKMT2AALDH1A1MAPT
SCHEMBL32896 0.76 CYP3A4 (0.48) GPR84ATMKMT2AALDH1A1MAPT
SCHEMBL517162 0.76 SLC22A6 (0.47) GPR84ATMKMT2AALDH1A1MAPT
SCHEMBL329511 0.76 SLC22A6 (0.56) GPR84ATMKMT2AALDH1A1MAPT

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-2872502-B1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2016-08-24 EP disclosed
US-20160200741-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-14 US disclosed
US-9206191-B2 Indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-12-08 US disclosed
US-20150158879-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-06-11 US disclosed
CN-104487431-A Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN LA ROCHE 2015-04-01 CN disclosed
US-20110172126-A1 LIBRARIES OF PEPTIDE CONJUGATES AND METHODS FOR MAKING THEM XENOME LTD (AU) 2011-07-14 US disclosed
US-20110172126-A1 LIBRARIES OF PEPTIDE CONJUGATES AND METHODS FOR MAKING THEM XENOME LTD (AU) 2011-07-14 US disclosed
WO-2010025510-A1 LIBRARIES OF PEPTIDE CONJUGATES AND METHODS FOR MAKING THEM XENOME LTD (AU) 2010-03-11 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-20150158879-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection ADORA3, ADORA1, BRS3 GPR84 469/4885FFAR1 1771/4885ATM 2949/4885
US-20160200741-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection ADORA3, ADORA1, BRS3 GPR84 469/4885FFAR1 1771/4885ATM 2949/4885

“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.