SCHEMBL4477889

SCHEMBL4477889

COC(=O)C(Cc1cccnc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.52
KDM4E B2RXH2 1/20 0.51
NAPRT Q6XQN6 1/20 0.50
ALDH1A1 P00352 1/20 0.49
FDPS P14324 1/20 0.49
NLRP3 Q96P20 1/20 0.48
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
CYP3A4 P08684 2/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RECQL P46063 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HTT P42858 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
SCHEMBL15258852 0.90 ALDH1A1 (0.48) TBXAS1KDM4ENAPRTALDH1A1FDPS
SCHEMBL3949678 0.87 MMP8 (0.54) TBXAS1KDM4ENAPRTALDH1A1FDPS
SCHEMBL6885074 0.85 KDM4E (0.62) TBXAS1KDM4ENAPRTFDPSCYP3A4
SCHEMBL16508902 0.83 TBXAS1 (0.57) TBXAS1KDM4ENAPRTALDH1A1FDPS
SCHEMBL2565141 0.83 TBXAS1 (0.56) TBXAS1KDM4ENAPRTFDPSKMT2A
SCHEMBL8287672 0.82 PPARG (0.61) ALDH1A1KMT2APPARGPPARDPPARA
SCHEMBL391783 0.82 PPARG (0.61) ALDH1A1KMT2APPARGPPARDPPARA
SCHEMBL971351 0.82 KMT2A (0.53) TBXAS1KDM4EALDH1A1KMT2ACYP3A4
SCHEMBL19699200 0.82 ALDH1A1 (0.49) TBXAS1KDM4ENAPRTALDH1A1FDPS
SCHEMBL29627252 0.82 ALDH1A1 (0.49) TBXAS1KDM4ENAPRTALDH1A1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328057-B2 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases DOMPE' FARMACEUTICI S.P.A. (IT) 2016-05-03 US disclosed
US-20090203652-A1 CHIRAL ARYLKETONES IN THE TREATMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DISEASES DOMPE PHA.R.MA S.P.A. (IT) 2009-08-13 US disclosed
EP-1581474-B1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES DOMPE SPA (IT) 2008-08-27 EP disclosed
US-20060247297-A1 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases DOMPE PHA.R.MA S.P.A. (IT) 2006-11-02 US disclosed
EP-1581474-A1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES Dompé S.P.A. (IT) 2005-10-05 EP disclosed
WO-2004052830-A1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES DOMPE S.P.A. (IT) 2004-06-24 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-20060247297-A1 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases NR1H4, MMP8, NR1I2 TBXAS1 1178/4885KDM4E 3987/4885NAPRT 1223/4885
US-20090203652-A1 CHIRAL ARYLKETONES IN THE TREATMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DISEASES NR1H4, MMP8, NR1I2 TBXAS1 1178/4885KDM4E 3987/4885NAPRT 1223/4885

“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.