SCHEMBL1078710

SCHEMBL1078710

CC(C)NC(=O)c1cnc(CO)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MME P08473 1/20 0.38
ALPL P05186 2/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
HASPIN Q8TF76 1/20 0.36
CNR1 P21554 1/20 0.36
KDM5A P29375 1/20 0.36
GRM5 P41594 2/20 0.35
CHRM2 P08172 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL1079731 0.80 GAA (0.42) MMP2SMN1; SMN2ALPLALDH1A1
SCHEMBL13616510 0.78 MME (0.53) MMP2ADORA3ADORA2AADORA2BADORA1
SCHEMBL1078750 0.77 ADORA3 (0.39) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL1079026 0.75 SMN1; SMN2 (0.52) SMN1; SMN2MMEALDH1A1CYP1A2
SCHEMBL31679157 0.74 EGLN1 (0.38) MMP2RIPK1ALDH1A1
SCHEMBL25758881 0.69 ALOX15 (0.46) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL22901899 0.68 SMN1; SMN2 (0.53) ADORA3ADORA2AADORA2BADORA1SMN1; SMN2
SCHEMBL31373939 0.68 MMP2 (0.58) MMP2ALDH1A1CYP1A2
SCHEMBL24019838 0.67 ALOX15 (0.41) ADORA3ADORA2AADORA2BADORA1ALOX15
SCHEMBL7424608 0.67 MMP2 (0.61) MMP2ALPLALDH1A1CYP1A2

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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 US disclosed
EP-2273882-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES Poniard Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PARK7, BDNF, BACE1 MMP2 1296/4885ADORA3 4073/4885ADORA2A 2749/4885

“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.