SCHEMBL3352839

SCHEMBL3352839

CN(C(=O)Cl)C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SIGMAR1 Q99720 1/20 0.46
ABCB1 P08183 1/20 0.46
HCAR2 Q8TDS4 1/20 0.45
CCR6 P51684 1/20 0.44
PAX8 Q06710 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MMP1 P03956 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
SCHEMBL7694380 0.89 ALDH1A1 (0.62) ALDH1A1MAPTHPGDTDP1LMNA
SCHEMBL22283338 0.83 ALDH1A1 (0.55) ALDH1A1MAPTHPGDTDP1LMNA
SCHEMBL20716127 0.83 ALDH1A1 (0.55) ALDH1A1MAPTHPGDTDP1LMNA
SCHEMBL23944892 0.82 ALDH1A1 (0.58) ALDH1A1MAPTHPGDTDP1LMNA
Benzyl Dimethylcarbamate SCHEMBL5134244 0.82 ALDH1A1 (0.62) ALDH1A1MAPTHPGDTDP1LMNA
Benzyl Dimethylcarbamate SCHEMBL14031385 0.82 ALDH1A1 (0.62) ALDH1A1MAPTHPGDTDP1LMNA
Benzyl Dimethylcarbamate SCHEMBL20401678 0.82 ALDH1A1 (0.62) ALDH1A1MAPTHPGDTDP1LMNA
SCHEMBL25940906 0.81 ALDH1A1 (0.53) ALDH1A1MAPTHPGDTDP1LMNA
SCHEMBL19007844 0.81 ALDH1A1 (0.58) ALDH1A1MAPTHPGDTDP1LMNA
SCHEMBL250619 0.80 ALDH1A1 (0.60) ALDH1A1MAPTHPGDTDP1LMNA

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
US-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2018-12-27 US disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
EP-2038272-A2 PYRIDINONYL PDK1 INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 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-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 ALDH1A1 2166/4885MAPT 4009/4885HPGD 798/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 ALDH1A1 1905/4885MAPT 3341/4885HPGD 840/4885

“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.