SCHEMBL3971591

SCHEMBL3971591

COC(=O)Nc1cc(F)c(Cl)cc1C#CC(C)(C)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.36
HTT P42858 3/20 0.34
HPGD P15428 1/20 0.34
EGFR P00533 2/20 0.33
MAP3K14 Q99558 1/20 0.33
PDK1 Q15118 3/20 0.33
PDK2 Q15119 3/20 0.33
PDK3 Q15120 3/20 0.33
PDK4 Q16654 3/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
CASP3 P42574 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3389023 0.81 HPGD (0.35) HTTHPGDEGFRALDH1A1LMNA
SCHEMBL406036 0.80 MRGPRX4 (0.39) HTTHPGDALDH1A1GAAMAPT
SCHEMBL13968706 0.77 HPGD (0.38) HTTHPGDPDK1PDK2PDK3
SCHEMBL1397668 0.72 HPGD (0.41) HTTHPGDALDH1A1LMNAMAPT
SCHEMBL3932786 0.69 HPGD (0.41) HTTHPGDALDH1A1LMNAMAPT
SCHEMBL404545 0.67 ALDH1A1 (0.43) HTTHPGDALDH1A1GAALMNA
SCHEMBL22279549 0.65 HPGD (0.50) HTTHPGDGAAMAPTNPC1
SCHEMBL22990771 0.65 CYP17A1 (0.44) HTTEGFRLMNAPOLBAPEX1
SCHEMBL29697261 0.65 CYP17A1 (0.44) HTTEGFRLMNAPOLBAPEX1
SCHEMBL2353023 0.65 AAK1 (0.40) HTTEGFR

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
WO-2009007259-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2009-01-15 WO disclosed
WO-2009007259-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2009-01-15 WO disclosed
US-20090012311-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2009-01-08 US disclosed
US-20090012311-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2009-01-08 US disclosed
EP-2011783-A1 Process for the preparation of an indole derivative F. HOFFMANN-LA ROCHE AG (CH) 2009-01-07 EP 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-20090012311-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES IDO1, IDO2, TPH1 PGK1 557/4885HTT 1448/4885HPGD 158/4885

“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.