SCHEMBL21290883

SCHEMBL21290883

CCN1C[C@@H](O)C[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
CD274 Q9NZQ7 4/20 0.35
PDCD1 Q15116 2/20 0.35
MME P08473 1/20 0.33
RIPK1 Q13546 1/20 0.33
GAA P10253 2/20 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
SCHEMBL5067978 1.00 ATM (0.53) ATMCD274PDCD1MMERIPK1
SCHEMBL8895922 1.00 ATM (0.53) ATMCD274PDCD1MMERIPK1
SCHEMBL12155273 0.85 ATM (0.50) ATMCD274PDCD1GAA
SCHEMBL8894208 0.85 ATM (0.50) ATMCD274PDCD1GAA
SCHEMBL14355763 0.85 ATM (0.50) ATMCD274PDCD1GAA
SCHEMBL12191622 0.85 ATM (0.50) ATMCD274PDCD1GAA
SCHEMBL26999793 0.84 ATM (0.40) ATMCD274GAA
SCHEMBL21618694 0.84 ATM (0.40) ATMCD274GAA
SCHEMBL20158970 0.82 MAOA (0.40) ATMGAA
SCHEMBL9965183 0.82 ATM (0.39) ATMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
WO-2021121282-A1 PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS WITH IMMUNOMODULATORY FUNCTION 上海轶诺药业有限公司 2021-06-24 WO disclosed
WO-2020011246-A1 BENZENE RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 广州丹康医药生物有限公司 2020-01-16 WO disclosed
WO-2019160882-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-08-22 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 ATM 180/4885CD274 1/4885PDCD1 2/4885

“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.