SCHEMBL4477892

SCHEMBL4477892

COC(=O)CCc1cccnc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
MAPT P10636 2/20 0.55
CYP1A2 P05177 1/20 0.55
ALDH1A1 P00352 6/20 0.45
TSHR P16473 3/20 0.45
ALOX15 P16050 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP3A4 P08684 1/20 0.45
BLM P54132 1/20 0.45
AGER Q15109 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.41
MYC P01106 1/20 0.41
LMNA P02545 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 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
SCHEMBL29852436 0.85 CYP4F2 (0.56) KDM4EMAPTCYP1A2ALDH1A1TSHR
SCHEMBL22018876 0.81 KDM4E (0.58) KDM4EMAPTCYP1A2ALDH1A1TSHR
SCHEMBL8665005 0.80 SLC13A5 (0.54) KDM4EALDH1A1TSHRSMN1; SMN2CCNC
SCHEMBL27485910 0.80 ALDH1A1 (0.43) KDM4EALDH1A1TSHRSMN1; SMN2CCNC
SCHEMBL22653038 0.79 KDM4E (0.64) KDM4EMAPTCYP1A2ALDH1A1TSHR
SCHEMBL31048845 0.78 LMNA (0.45) KDM4EALDH1A1TSHRSMN1; SMN2CCNC
SCHEMBL29166063 0.78 LMNA (0.45) KDM4EALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL31048765 0.78 LMNA (0.45) KDM4EALDH1A1TSHRSMN1; SMN2CCNC
SCHEMBL1503284 0.78 KDM4E (0.62) KDM4EMAPTCYP1A2ALDH1A1TSHR
SCHEMBL29852339 0.77 CYP4F2 (0.53) KDM4EMAPTCYP1A2ALDH1A1TSHR

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 KDM4E 3987/4885MAPT 1794/4885CYP1A2 174/4885
US-20090203652-A1 CHIRAL ARYLKETONES IN THE TREATMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DISEASES NR1H4, MMP8, NR1I2 KDM4E 3987/4885MAPT 1794/4885CYP1A2 174/4885

“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.