SCHEMBL22034280

SCHEMBL22034280

COc1ccc(C(OCC2OC(n3ccc4c(NC(=O)c5ccccc5)ncnc43)CC2OC(=O)c2ccc([N+](=O)[O-])cc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
BCHE P06276 1/20 0.35
USP2 O75604 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TYMP P19971 2/20 0.35
SNCA P37840 1/20 0.35
SLC29A1 Q99808 1/20 0.35
PLTP P55058 1/20 0.35
RET P07949 2/20 0.34
KDR P35968 2/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33

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
SCHEMBL22034276 1.00 POLB (0.43) POLBABCG2MEN1KMT2AMAPT
SCHEMBL30549354 0.91 SLC29A1 (0.43) POLBABCG2TYMPSLC29A1
SCHEMBL21828804 0.91 SLC29A1 (0.43) POLBABCG2TYMPSLC29A1
SCHEMBL29674473 0.91 SLC29A1 (0.43) POLBABCG2TYMPSLC29A1
SCHEMBL22034033 0.84 TYMP (0.47) TYMPRETKDR
SCHEMBL18490419 0.84 TYMP (0.47) TYMPRETKDR
SCHEMBL27216186 0.84 TYMP (0.47) TYMPRETKDR
SCHEMBL21577261 0.84 TYMP (0.46) POLBTYMP
SCHEMBL532593 0.78 TYMP (0.46) POLBTYMP
SCHEMBL18490599 0.78 TYMP (0.38) MAPTTYMPRETKDRNPC1

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-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 US disclosed
US-20220024964-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-01-27 US disclosed
EP-3891164-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS Merck Sharp & Dohme Corp. (US) 2021-10-13 EP disclosed
WO-2020117625-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 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 (2 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-20220033431-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 POLB 317/4885ABCG2 2436/4885MEN1 1602/4885
US-20220024964-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 POLB 332/4885ABCG2 2494/4885MEN1 1573/4885

“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.