SCHEMBL2287435

SCHEMBL2287435

CSc1ncc(C#CC2=CCN(S(=O)(=O)C[C@@]3(C)NC(=O)NC3=O)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.42
MMP14 P50281 12/20 0.42
MMP12 P39900 1/20 0.41

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
SCHEMBL3647385 1.00 MMP13 (0.42) MMP13MMP14MMP12
SCHEMBL2289321 0.90 MMP13 (0.43) MMP13MMP14MMP12
SCHEMBL5241113 0.90 MMP13 (0.43) MMP13MMP14MMP12
SCHEMBL2289892 0.88 MMP13 (0.44) MMP13MMP14MMP12
SCHEMBL5237716 0.88 MMP13 (0.44) MMP13MMP14MMP12
SCHEMBL2287069 0.88 MMP13 (0.44) MMP13MMP14MMP12
SCHEMBL4781756 0.88 MMP13 (0.44) MMP13MMP14MMP12
SCHEMBL2293088 0.86 MMP13 (0.46) MMP13MMP14MMP12
SCHEMBL5241162 0.86 MMP13 (0.46) MMP13MMP14MMP12
SCHEMBL2287095 0.86 MMP13 (0.44) MMP13MMP14MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989620-B2 Hydantoin derivatives for the treatment of obstructive airway diseases ASTRAZENECA AB (SE) 2011-08-02 US claimed
US-20080064710-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases ASTRAZENECA AB (SE) 2008-03-13 US claimed
US-7989620-B2 Hydantoin derivatives for the treatment of obstructive airway diseases ASTRAZENECA AB (SE) 2011-08-02 US disclosed
US-20100144771-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases ASTRAZENECA AB (SE) 2010-06-10 US disclosed
US-7648992-B2 Hydantoin derivatives for the treatment of obstructive airway diseases ASTRAZENECA AB (SE) 2010-01-19 US disclosed
EP-1778673-B1 NOVEL HYDANTOIN DERIVATIVES FOR THE TREATMENT OF OBSTRUCTIVE AIRWAY DISEASES ASTRAZENECA AB (SE) 2009-11-11 EP disclosed
US-20080064710-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases ASTRAZENECA AB (SE) 2008-03-13 US 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-20080064710-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases HRH4, HRH1, HRH2 MMP13 519/4885MMP14 2128/4885MMP12 1794/4885
US-20100144771-A1 Novel Hydantoin Derivatives for the Treatment of Obstructive Airway Diseases HRH4, HRH1, HRH2 MMP13 520/4885MMP14 2136/4885MMP12 1782/4885

“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.