SCHEMBL21828804

SCHEMBL21828804

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.43
TYMP P19971 3/20 0.42
POLB P06746 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
P2RY12 Q9H244 1/20 0.36

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
SCHEMBL29674473 1.00 SLC29A1 (0.43) SLC29A1TYMPPOLBABCG2PRMT6
SCHEMBL30549354 1.00 SLC29A1 (0.43) SLC29A1TYMPPOLBABCG2PRMT6
SCHEMBL21577261 0.94 TYMP (0.46) TYMPPOLBPRMT6P2RY12
SCHEMBL22034280 0.91 POLB (0.43) SLC29A1TYMPPOLBABCG2
SCHEMBL22034276 0.91 POLB (0.43) SLC29A1TYMPPOLBABCG2
SCHEMBL3822659 0.87 TYMP (0.47) TYMPPRMT6P2RY12
SCHEMBL532593 0.87 TYMP (0.46) TYMPPOLB
SCHEMBL25505308 0.86 SLC29A1 (0.49) SLC29A1POLBPRMT6P2RY12
SCHEMBL25386259 0.86 SLC29A1 (0.42) SLC29A1TYMPP2RY12
SCHEMBL14049947 0.86 TYMP (0.44) TYMPPRMT6P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4242212-A2 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING Takeda Pharmaceutical Company Limited (JP) 2023-09-13 EP disclosed
US-20230159922-A1 MODIFIED OLIGOMERIC COMPOUNDS AND USES THEREOF IONIS PHARMACEUTICALS, INC. (US) 2023-05-25 US disclosed
EP-4013428-A1 MODIFIED OLIGOMERIC COMPOUNDS AND USES THEREOF Ionis Pharmaceuticals, Inc. (US) 2022-06-22 EP disclosed
US-20220064636-A1 MODIFIED OLIGOMERIC COMPOUNDS AND USES THEREOF IONIS PHARMACEUTICALS, INC. (US) 2022-03-03 US disclosed
EP-3861118-A1 MODIFIED OLIGOMERIC COMPOUNDS AND USES THEREOF Ionis Pharmaceuticals, Inc. (US) 2021-08-11 EP disclosed
WO-2021030763-A1 MODIFIED OLIGOMERIC COMPOUNDS AND USES THEREOF IONIS PHARMACEUTICALS, INC. (US) 2021-02-18 WO disclosed
WO-2020072991-A1 MODIFIED OLIGOMERIC COMPOUNDS AND USES THEREOF IONIS PHARMACEUTICALS, INC. (US) 2020-04-09 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-20220064636-A1 MODIFIED OLIGOMERIC COMPOUNDS AND USES THEREOF NOP2, NOP58, PHAX SLC29A1 314/4885TYMP 179/4885POLB 56/4885

“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.