SCHEMBL21136653

SCHEMBL21136653

CCOC(=O)c1cnc(N2CCCC(CO)C2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.47
CDK8 P49336 2/20 0.43
PARP1 P09874 1/20 0.42
TNK2 Q07912 1/20 0.42
TNK1 Q13470 1/20 0.42
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KHK P50053 1/20 0.40
TMPRSS15 P98073 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL5334339 0.77 OGA (0.55) OGAPARP1TNK2TNK1CCNT1
SCHEMBL2822653 0.77 OGA (0.50) OGAPARP1TNK2TNK1CCNT1
SCHEMBL31281641 0.77 HRH3 (0.53) OGAPARP1TNK2TNK1CCNT1
Hydrochloric Acid SCHEMBL17541458 0.76 OGA (0.54) OGAPARP1TNK2TNK1CCNT1
SCHEMBL2848527 0.76 ABCC2 (0.46) OGACCNT1CDK9CDC7DBF4
SCHEMBL2848528 0.76 ABCC2 (0.46) OGACCNT1CDK9CDC7DBF4
SCHEMBL16982078 0.76 OGA (0.59) OGAPARP1TNK2TNK1CDC7
SCHEMBL21135573 0.76 CDK8 (0.46) CDK8ALDH1A1KHKPIK3CAMTOR
SCHEMBL30908402 0.75 OGA (0.55) OGAPARP1TNK2TNK1CCNT1
SCHEMBL3787851 0.74 OGA (0.57) OGAPARP1TNK2TNK1CCNT1

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
EP-3371196-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PLATELET AGGREGATION UNIV MONTREAL (CA) 2021-10-27 EP disclosed
US-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation UNIVERSITE DE MONTREAL (CA) 2019-06-25 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-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation F12, F2, F3 OGA 4612/4885CDK8 1576/4885PARP1 627/4885

“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.