SCHEMBL20665992

SCHEMBL20665992

CC(C)C(=O)Cn1ccccc1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.52
PSMB1 P20618 2/20 0.52
TSHR P16473 1/20 0.50
PREP P48147 1/20 0.43
FAP Q12884 1/20 0.43
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GRIN2B Q13224 3/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL11964126 0.79 TSHR (0.54) PSMB5PSMB1TSHRPREPFAP
SCHEMBL9752669 0.79 TSHR (0.57) PSMB5PSMB1TSHRPREPFAP
SCHEMBL19500099 0.78 PSMB5 (0.52) PSMB5PSMB1TSHRPOLBL3MBTL1
SCHEMBL1280773 0.77 TSHR (0.56) PSMB5PSMB1TSHRPREPFAP
SCHEMBL12530443 0.76 TSHR (0.51) PSMB5PSMB1TSHRPREPFAP
SCHEMBL19509381 0.76 PSMB5 (0.50) PSMB5PSMB1TSHRPREPFAP
SCHEMBL11827268 0.76 TSHR (0.54) PSMB5PSMB1TSHRPREPFAP
SCHEMBL4956341 0.76 TSHR (0.54) PSMB5PSMB1TSHRPREPFAP
SCHEMBL7095748 0.75 KDM4E (0.53) PSMB5PSMB1TSHRPOLBL3MBTL1
SCHEMBL19500225 0.73 PSMB5 (0.48) PSMB5PSMB1TSHRPREPFAP

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-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 US disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 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 (3 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-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 PSMB5 2949/4885PSMB1 4391/4885TSHR 655/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 PSMB5 2949/4885PSMB1 4391/4885TSHR 655/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 PSMB5 2949/4885PSMB1 4391/4885TSHR 655/4885

“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.