SCHEMBL4417698

SCHEMBL4417698

CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CC(=O)OC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.80
HPGD P15428 7/20 0.80
LMNA P02545 1/20 0.80
MAPT P10636 8/20 0.74
NPSR1 Q6W5P4 4/20 0.74
KDM4E B2RXH2 4/20 0.70
TP53 P04637 1/20 0.70
THRB P10828 1/20 0.70
GSTO1 P78417 1/20 0.69
GAA P10253 3/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
CNR2 P34972 1/20 0.65
HTT P42858 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
KMT2A Q03164 3/20 0.62
POLB P06746 2/20 0.62
MAPK1 P28482 1/20 0.62
CACNA1B Q00975 1/20 0.61

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
SCHEMBL5804317 0.87 ALDH1A1 (0.82) ALDH1A1HPGDLMNAMAPTNPSR1
SCHEMBL5804319 0.87 ALDH1A1 (0.82) ALDH1A1HPGDLMNAMAPTNPSR1
SCHEMBL23413594 0.81 ALDH1A1 (0.72) ALDH1A1HPGDLMNAMAPTNPSR1
SCHEMBL27414336 0.81 ALDH1A1 (0.72) ALDH1A1HPGDLMNAMAPTNPSR1
SCHEMBL27414353 0.81 ALDH1A1 (0.71) ALDH1A1HPGDLMNAMAPTNPSR1
SCHEMBL1579548 0.81 ALDH1A1 (0.72) ALDH1A1HPGDLMNAMAPTNPSR1
SCHEMBL14875905 0.81 ALDH1A1 (0.76) ALDH1A1HPGDLMNAMAPTNPSR1
SCHEMBL3812791 0.81 ALDH1A1 (0.71) ALDH1A1HPGDLMNAMAPTNPSR1
SCHEMBL27414341 0.80 ALDH1A1 (0.70) ALDH1A1HPGDLMNAMAPTNPSR1
SCHEMBL27414551 0.80 CACNA1B (0.75) ALDH1A1HPGDLMNAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
WO-2008014307-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2008-01-31 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 (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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 ALDH1A1 3119/4885HPGD 158/4885LMNA 2709/4885

“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.