SCHEMBL12453039

SCHEMBL12453039

CCOC(=O)c1nc(C(CC)OS(C)(=O)=O)oc1CCNC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ALDH1A1 P00352 4/20 0.36
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
MAPT P10636 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NQO2 P16083 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
GFER P55789 1/20 0.32
CA12 O43570 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
SCHEMBL12453042 0.84 HTT (0.40) HTTNPSR1ALDH1A1ADORA3ADORA2A
SCHEMBL12453038 0.84 HTT (0.40) HTTNPSR1ALDH1A1ADORA3ADORA2A
SCHEMBL12453037 0.81 HTT (0.39) HTTNPSR1ALDH1A1ADORA3ADORA2A
SCHEMBL15925778 0.79 NPSR1 (0.36) HTTNPSR1ALDH1A1ADORA3ADORA2A
SCHEMBL12453032 0.78 HTT (0.46) HTTNPSR1ALDH1A1ADORA3ADORA2A
SCHEMBL12453034 0.75 HTT (0.41) HTTNPSR1ALDH1A1ADORA3ADORA2A
SCHEMBL15926200 0.73 SUCNR1 (0.39) HTTNPSR1ADORA3ADORA2AMAPT
SCHEMBL12667066 0.71 SUCNR1 (0.38) HTTNPSR1ADORA3ADORA2AMAPT
SCHEMBL3822471 0.70 NPSR1 (0.38) HTTNPSR1ALDH1A1ADORA3ADORA2A
SCHEMBL12453030 0.70 NPSR1 (0.44) HTTNPSR1ALDH1A1ADORA3ADORA2A

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-8796300-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-08-05 US disclosed
US-20120238595-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-09-20 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-20120238595-A1 THERAPEUTIC COMPOUNDS CCNY, MKI67, MCL1 HTT 1546/4885NPSR1 693/4885ALDH1A1 1237/4885

“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.