SCHEMBL23350797

SCHEMBL23350797

CC(C)C(=O)Nc1nc2c(ncn2C2O[C@H](CO)[C@@H](OP(=O)(OCCC#N)OCC3OC(n4cnc5c(=O)[nH]c(NC(=O)C(C)C)nc54)[C@H](N)[C@@H]3O[PH](=O)O)C2O[Si](C)(C)C(C)(C)C)c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ TAS1R3 Q7RTX0 2/20 0.43
▸ TAS1R1 Q7RTX1 2/20 0.43
▸ IMPDH2 P12268 6/20 0.35
▸ IMPDH1 P20839 2/20 0.35
▸ KRAS P01116 5/20 0.33
▸ RNASEL Q05823 2/20 0.32
▸ NT5E P21589 1/20 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
SCHEMBL19502504 0.88 KDM4E (0.40) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1
SCHEMBL21073930 0.86 KDM4E (0.38) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1
SCHEMBL17066101 0.85 TAS1R3 (0.46) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1
SCHEMBL31430099 0.85 TAS1R3 (0.43) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1
SCHEMBL19762769 0.85 KDM4E (0.38) KDM4ETAS1R3TAS1R1
SCHEMBL21073932 0.84 KDM4E (0.38) KDM4ETAS1R3TAS1R1IMPDH2
SCHEMBL17317468 0.84 KDM4E (0.45) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1
SCHEMBL22036671 0.84 KDM4E (0.45) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1
SCHEMBL18992534 0.83 KDM4E (0.52) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1
SCHEMBL22434942 0.83 KDM4E (0.52) KDM4ETAS1R3TAS1R1IMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139604-A1 COMPOSITIONS OF ANTIBODY CONSTRUCT-AGONIST CONJUGATES AND METHODS OF USE THEREOF OPI VI - IP HOLDCO LLC 2021-05-13 — — 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 (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-20210139604-A1 COMPOSITIONS OF ANTIBODY CONSTRUCT-AGONIST CONJUGATES AND METHODS OF USE THEREOF STING1, CGAS, TLR7 KDM4E 3375/4885TAS1R3 1381/4885TAS1R1 1315/4885

“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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