SCHEMBL2328448

SCHEMBL2328448

CC(C)(C)OC(=O)NCCc1cn(CCF)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GFER P55789 1/20 0.44
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CPB2 Q96IY4 4/20 0.39
NQO2 P16083 1/20 0.39
CPB1 P15086 1/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA12 O43570 4/20 0.39
CA9 Q16790 4/20 0.39
SCN9A Q15858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL28861530 0.86 CPB2 (0.45) ALDH1A1GFERHTTNPSR1CPB2
SCHEMBL2084230 0.83 ALDH1A1 (0.48) ALDH1A1GFERHTTNPSR1NQO2
SCHEMBL13256665 0.82 CPB2 (0.41) ALDH1A1CPB2NQO2CPB1
SCHEMBL5450093 0.81 ALDH1A1 (0.43) ALDH1A1GFERHTTNPSR1NQO2
SCHEMBL1568982 0.81 CPB2 (0.41) ALDH1A1GFERHTTNPSR1CPB2
SCHEMBL21071078 0.81 CA1 (0.46) CPB2CPB1CA1CA2CA12
SCHEMBL4701416 0.80 CPB2 (0.41) CPB2CPB1
SCHEMBL13239683 0.80 ALDH1A1 (0.38) ALDH1A1HTTCPB2CPB1CA2
SCHEMBL21069415 0.79 TDP1 (0.47) ALDH1A1GFERNPSR1CPB2CA1
SCHEMBL2687010 0.76 ALDH1A1 (0.40) ALDH1A1GFERHTTNPSR1NQO2

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
EP-2357179-A1 Thiazol-2-yl organic compounds Novartis AG (CH) 2011-08-17 EP disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 US disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 US disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 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 (1 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-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma AKT3, PIK3R3, PIK3CD ALDH1A1 3448/4885GFER 4549/4885HTT 4262/4885

“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.