SCHEMBL16153182

SCHEMBL16153182

CCCCOC(=O)CC=N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
ALDH1A1 P00352 1/20 0.50
NAAA Q02083 1/20 0.50
TSHR P16473 2/20 0.48
HPGD P15428 1/20 0.48
HCAR2 Q8TDS4 3/20 0.46
DGKA P23743 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
RAD52 P43351 1/20 0.43
FAAH O00519 2/20 0.42
HTR2C P28335 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 1/20 0.38
DNM1 Q05193 1/20 0.38

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
SCHEMBL17219527 0.94 NAAA (0.59) ATMALDH1A1NAAATSHRHPGD
SCHEMBL17219584 0.92 NAAA (0.62) ATMNAAATSHRHCAR2DGKA
SCHEMBL27900198 0.92 NAAA (0.62) ATMNAAATSHRHCAR2DGKA
SCHEMBL28875847 0.92 NAAA (0.62) ATMNAAATSHRHCAR2DGKA
SCHEMBL27325180 0.90 NAAA (0.60) ATMNAAATSHRHCAR2DGKA
SCHEMBL17219824 0.87
Propionic Acid SCHEMBL22345230 0.86 NAAA (0.59) NAAATSHRHCAR2DGKANPSR1
Propionic Acid SCHEMBL22345225 0.84 NAAA (0.58) NAAATSHRHCAR2DGKANPSR1
Propionic Acid SCHEMBL27981082 0.84 NAAA (0.58) NAAATSHRHCAR2DGKANPSR1
Propionic Acid SCHEMBL22345233 0.83 NAAA (0.56) NAAATSHRHCAR2DGKANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344404-A1 PDK4 INHIBITOR AND USE THEREOF THE KITASATO INSTITUTE (JP) 2015-12-03 US disclosed
EP-2939668-A1 PDK4 INHIBITOR AND USE THEREOF The Kitasato Institute (JP) 2015-11-04 EP disclosed
EP-2142501-B1 PROCESS FOR PREPARING PORPHYRIN DERIVATIVES, SUCH AS PROTOPORPHYRIN (IX) AND SYNTHESIS INTERMEDIATE SANOFI PASTEUR (FR) 2014-10-08 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-20150344404-A1 PDK4 INHIBITOR AND USE THEREOF PDK4, PDK3, PDK2 ATM 261/4885ALDH1A1 119/4885NAAA 3657/4885

“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.