SCHEMBL4513481

SCHEMBL4513481

C[C@@H]1CN(Cc2ccsc2)[C@@H](C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.46
▸ PDK2 Q15119 1/20 0.46
▸ PDK3 Q15120 1/20 0.46
▸ PDK4 Q16654 1/20 0.46
▸ GPR119 Q8TDV5 4/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPK14 Q16539 3/20 0.36
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SETD7 Q8WTS6 1/20 0.35
▸ NR1I2 O75469 4/20 0.35

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
SCHEMBL14515750 1.00 PDK1 (0.46) PDK1PDK2PDK3PDK4GPR119
SCHEMBL107382 0.83 PDK1 (0.65) PDK1PDK2PDK3PDK4GPR119
SCHEMBL13810588 0.83 PDK1 (0.65) PDK1PDK2PDK3PDK4GPR119
SCHEMBL105647 0.83 PDK1 (0.65) PDK1PDK2PDK3PDK4GPR119
SCHEMBL105646 0.83 PDK1 (0.65) PDK1PDK2PDK3PDK4GPR119
SCHEMBL15292045 0.82 PDK1 (0.51) PDK1PDK2PDK3PDK4GPR119
SCHEMBL4501274 0.81 PDK1 (0.53) PDK1PDK2PDK3PDK4GPR119
SCHEMBL4494042 0.79 PDK1 (0.43) PDK1PDK2PDK3PDK4GPR119
SCHEMBL20333136 0.79 HDAC1 (0.52) PDK1PDK2PDK3PDK4GPR119
SCHEMBL13936174 0.79 PDK1 (0.43) PDK1PDK2PDK3PDK4GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 — — US disclosed
US-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 — — US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 — — US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 — — US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 — — US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 — — US disclosed
EP-1545528-A4 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2006-07-26 — — EP disclosed
EP-1545528-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC. (US) 2005-06-29 — — EP disclosed
US-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2004-07-22 — — US disclosed
WO-2004022712-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2004-03-18 — — 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-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase MAPK1, MAPKAPK2, MAPK4 PDK1 1015/4885PDK2 576/4885PDK3 784/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 PDK1 1016/4885PDK2 567/4885PDK3 738/4885

“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.

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