SCHEMBL17211693

SCHEMBL17211693

CCOC(=O)c1cc(C#N)c(SCC(C)=O)nc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
MAPT P10636 9/20 0.61
HSD17B10 Q99714 6/20 0.61
NPSR1 Q6W5P4 2/20 0.61
RAB9A P51151 6/20 0.60
L3MBTL1 Q9Y468 5/20 0.60
HPGD P15428 3/20 0.60
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 7/20 0.54
TSHR P16473 3/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 5/20 0.53
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 2/20 0.51
NPC1 O15118 5/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL17211761 0.91 SMN1; SMN2 (0.61) ALDH1A1MAPTHSD17B10NPSR1RAB9A
SCHEMBL12466609 0.85 L3MBTL1 (0.79) ALDH1A1MAPTHSD17B10NPSR1RAB9A
SCHEMBL10254012 0.81 KDM4E (0.62) ALDH1A1MAPTHSD17B10NPSR1L3MBTL1
SCHEMBL17294334 0.79 KDM4E (0.64) ALDH1A1MAPTHSD17B10NPSR1RAB9A
SCHEMBL13604002 0.77 ALDH1A1 (0.71) ALDH1A1MAPTHSD17B10NPSR1RAB9A
SCHEMBL16616673 0.74 KDM4E (0.72) ALDH1A1MAPTHSD17B10NPSR1RAB9A
SCHEMBL10378034 0.74 L3MBTL1 (1.00) ALDH1A1MAPTHSD17B10NPSR1RAB9A
SCHEMBL10378081 0.73 L3MBTL1 (0.79) ALDH1A1MAPTHSD17B10NPSR1RAB9A
SCHEMBL12466437 0.72 L3MBTL1 (0.77) ALDH1A1MAPTHSD17B10NPSR1RAB9A
SCHEMBL27904206 0.71 KDM4E (0.56) ALDH1A1MAPTHSD17B10L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340532-B2 Methods and compositions for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-05-17 US disclosed
US-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2015-10-29 US 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-20150307482-A1 METHODS AND COMPOSITIONS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CAMKK2 ALDH1A1 4764/4885MAPT 3576/4885HSD17B10 3162/4885

“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.