SCHEMBL21795445

SCHEMBL21795445

CCS(=O)(=O)N1CCC(O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.40
CNR2 P34972 1/20 0.39
BRD4 O60885 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
DPP4 P27487 2/20 0.38
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL6918629 0.88 TSHR (0.44) KDM4EPOLBTSHRL3MBTL1GAA
SCHEMBL2551331 0.86 POLB (0.49) KDM4EPOLBTSHRL3MBTL1GAA
SCHEMBL3313080 0.82 TP53 (0.47) KDM4EPOLBTSHRL3MBTL1GAA
SCHEMBL16896711 0.82 TP53 (0.47) KDM4EPOLBTSHRL3MBTL1GAA
SCHEMBL16896689 0.82 TP53 (0.47) KDM4EPOLBTSHRL3MBTL1GAA
SCHEMBL18322797 0.81 L3MBTL1 (0.35) KDM4EPOLBTSHRL3MBTL1GAA
SCHEMBL3576010 0.79 TP53 (0.35) TSHRCNR2BRD4LMNATP53
SCHEMBL5828751 0.79 TP53 (0.35) TSHRCNR2BRD4LMNATP53
SCHEMBL3576015 0.79 TP53 (0.35) TSHRCNR2BRD4LMNATP53
SCHEMBL4558253 0.79 NPSR1 (0.39) CNR2BRD4KCNH2HRH3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta Immuno-Oncology LLC 2020-03-05 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-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF RARB, RARG, RARA KDM4E 4380/4885POLB 507/4885TSHR 2658/4885

“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.