SCHEMBL310402

SCHEMBL310402

CC(C)(C)OC(=O)N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TP53 P04637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GPR119 Q8TDV5 9/20 0.49
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.45
EPHX1 P07099 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6957235 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EGPR119HPGDHRH3
SCHEMBL14317703 0.86 GPR119 (0.47) GPR119HPGDRECQLEPHX1USP2
SCHEMBL56379 0.85 USP2 (0.53) GPR119HPGDUSP2SMN1; SMN2
SCHEMBL4987189 0.82 HPGD (0.51) ALDH1A1KDM4ETP53TDP1GPR119
SCHEMBL20523370 0.82 GPR119 (0.43) ALDH1A1KDM4EGPR119HPGDHRH3
SCHEMBL994288 0.82 HPGD (0.58) ALDH1A1KDM4EGPR119HPGDRECQL
SCHEMBL17128329 0.82 HPGD (0.62) KDM4EGPR119HPGDRECQLEPHX1
SCHEMBL65017 0.82 HPGD (0.54) ALDH1A1GPR119HPGDRECQLEPHX1
SCHEMBL1971010 0.82 EPHX1 (0.55) ALDH1A1GPR119HPGDRECQLEPHX1
SCHEMBL63877 0.81 USP2 (0.53) ALDH1A1KDM4EGPR119HPGDRECQL

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-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
WO-2010045451-A1 PYRROLOPYRIMIDINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-22 WO disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885KDM4E 790/4885TP53 831/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALDH1A1 3410/4885KDM4E 790/4885TP53 831/4885

“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.