SCHEMBL21356334

SCHEMBL21356334

COc1ccc(C(O[C@H]2C[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.43
▸ ADORA2B P29275 2/20 0.43
▸ TYMP P19971 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ AHCY P23526 1/20 0.38

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
SCHEMBL21356552 0.89 ADORA2A (0.40) ADORA2AADORA2BTYMPADORA1
SCHEMBL17325411 0.87 TYMP (0.46) ADORA2AADORA2BTYMP
SCHEMBL20348403 0.84 TYMP (0.44) ADORA2AADORA2BTYMP
SCHEMBL21356548 0.83 ADCY5 (0.41) ADORA2AADORA2B
SCHEMBL3827645 0.82 ADORA1 (0.45) ADORA1
SCHEMBL3827648 0.82 ADORA1 (0.45) ADORA1
SCHEMBL29637892 0.82 ADORA1 (0.45) ADORA1
SCHEMBL21356527 0.81 ADORA2A (0.40) ADORA2AADORA2BTYMPADORA1HDAC1
SCHEMBL3822659 0.81 TYMP (0.47) ADORA2AADORA2BTYMPADORA1
SCHEMBL27003096 0.81 TYMP (0.50) ADORA2AADORA2BTYMPADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382932-A1 Cyclopentane-Based Modulators of STING (Stimulator of Interferon Genes) PFIZER INC. (US) 2023-11-30 — — US disclosed
EP-3765474-B1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER (US) 2022-06-15 — — EP disclosed
US-20210230196-A1 Cyclopentane-Based Modulators of STING (Stimulator of Interferon Genes) PFIZER INC. (US) 2021-07-29 — — US disclosed
US-10968242-B2 Cyclopentane-based modulators of STING (stimulator of interferon genes) PFIZER INC. (US) 2021-04-06 — — US disclosed
EP-3765474-A1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) Pfizer Inc (US) 2021-01-20 — — EP disclosed
US-20200102334-A1 Cyclopentane-Based Modulators of STING (Stimulator of Interferon Genes) PFIZER INC. (US) 2020-04-02 — — US disclosed
WO-2019175776-A1 CYCLOPENTANE-BASED MODULATORS OF STING (STIMULATOR OF INTERFERON GENES) PFIZER INC. (US) 2019-09-19 — — WO disclosed
US-20190284216-A1 Cyclopentane-Based Modulators of STING (Stimulator of Interferon Genes) PFIZER INC. (US) 2019-09-19 — — 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 (5 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-20210230196-A1 Cyclopentane-Based Modulators of STING (Stimulator of Interferon Genes) STING1, IRF3, CGAS ADORA2A 1183/4885ADORA2B 1539/4885TYMP 1265/4885
US-20190284216-A1 Cyclopentane-Based Modulators of STING (Stimulator of Interferon Genes) STING1, IRF3, CGAS ADORA2A 1183/4885ADORA2B 1539/4885TYMP 1265/4885
US-20230382932-A1 Cyclopentane-Based Modulators of STING (Stimulator of Interferon Genes) STING1, IRF3, CGAS ADORA2A 1183/4885ADORA2B 1539/4885TYMP 1265/4885
US-20200102334-A1 Cyclopentane-Based Modulators of STING (Stimulator of Interferon Genes) STING1, IRF3, CGAS ADORA2A 1183/4885ADORA2B 1539/4885TYMP 1265/4885
US-10968242-B2 Cyclopentane-based modulators of STING (stimulator of interferon genes) STING1, IRF3, CGAS ADORA2A 1183/4885ADORA2B 1539/4885TYMP 1265/4885

“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.

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