SCHEMBL4046464

SCHEMBL4046464

NC(=O)NNC(=O)CCSCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.62
ALDH1A1 P00352 8/20 0.54
HPGD P15428 6/20 0.54
USP2 O75604 1/20 0.53
TP53 P04637 2/20 0.50
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
TAAR1 Q96RJ0 1/20 0.48
HTT P42858 1/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 1/20 0.45
IDO1 P14902 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 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
SCHEMBL9374229 0.83 CYP2C19 (0.66) CYP2C19ALDH1A1HPGDUSP2TP53
SCHEMBL28539271 0.81 CYP2C19 (0.68) CYP2C19ALDH1A1HPGDUSP2TP53
SCHEMBL4133539 0.81 CYP2C19 (0.72) CYP2C19ALDH1A1HPGDUSP2TP53
SCHEMBL10955028 0.77 CYP2C19 (0.67) CYP2C19ALDH1A1HPGDUSP2TP53
SCHEMBL44801 0.77 CYP2C19 (1.00) CYP2C19ALDH1A1HPGDUSP2TP53
SCHEMBL11579804 0.77 ALDH1A1 (0.69) CYP2C19ALDH1A1HPGDGAASMN1; SMN2
SCHEMBL17117429 0.76 HPGD (0.84) CYP2C19ALDH1A1HPGDUSP2TP53
SCHEMBL11291081 0.76 CYP2C19 (0.70) CYP2C19ALDH1A1HPGDUSP2TP53
SCHEMBL9621935 0.75 CYP2C19 (0.64) CYP2C19ALDH1A1HPGDUSP2TP53
Urea SCHEMBL27623582 0.74 CYP2C19 (0.61) CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090299066-A1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD ERIKSSON ANDERS 2009-12-03 US disclosed
EP-1732903-B1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070219217-A1 Triazolone Derivatives as Mmp Inhibitors for the Treatment of Asthma and Copd ASTRAZENECA AB (SE) 2007-09-20 US disclosed
EP-1732903-A1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD AstraZeneca AB (SE) 2006-12-20 EP disclosed
WO-2005095362-A1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD ASTRAZENECA AB (SE) 2005-10-13 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-20070219217-A1 Triazolone Derivatives as Mmp Inhibitors for the Treatment of Asthma and Copd MMP9, MMP3, MMP25 CYP2C19 138/4885ALDH1A1 682/4885HPGD 155/4885
US-20090299066-A1 TRIAZOLONE DERIVATIVES AS MMP INHIBITORS FOR THE TREATMENT OF ASTHMA AND COPD MMP3, MMP9, MMP25 CYP2C19 125/4885ALDH1A1 647/4885HPGD 133/4885

“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.