SCHEMBL20655329

SCHEMBL20655329

COC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O[Si](C)(C)C(C)(C)C)[C@@H]1N

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 6/20 0.50
▸ HPGD P15428 1/20 0.48
▸ NT5E P21589 1/20 0.48
▸ GSK3A P49840 2/20 0.46
▸ RPS6KA3 P51812 2/20 0.46
▸ MAPK14 Q16539 2/20 0.46
▸ TGM2 P21980 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ PNP P00491 1/20 0.44
▸ STING1 Q86WV6 1/20 0.44
▸ KRAS P01116 2/20 0.43
▸ FUT5 Q11128 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ IMPDH2 P12268 1/20 0.42
▸ IMPDH1 P20839 1/20 0.42

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
SCHEMBL22577507 0.85 HINT1 (0.51) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL26808492 0.85 HINT1 (0.51) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL27216242 0.85 HINT1 (0.51) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL25807955 0.85 HINT1 (0.51) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL25813664 0.85 HINT1 (0.51) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL16471919 0.85 HINT1 (0.51) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL25613000 0.85 HINT1 (0.49) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL20655347 0.84 KDM4E (0.48) HINT1HPGDNT5ETAS1R3TAS1R1
SCHEMBL24377170 0.83 HINT1 (0.58) HINT1HPGDNT5EGSK3ARPS6KA3
SCHEMBL16844106 0.83 HINT1 (0.49) HINT1HPGDNT5EGSK3ARPS6KA3

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-20210147467-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY INNATE TUMOR IMMUNITY INC (US) 2021-05-20 — — US disclosed
US-10961270-B2 Compounds and compositions for treating conditions associated with sting activity INNATE TUMOR IMMUNITY, INC. (US) 2021-03-30 — — US disclosed
US-20200165288-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY INNATE TUMOR IMMUNITY INC (US) 2020-05-28 — — US disclosed
US-20190016750-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER Innate Tumoir Immunity, Inc. (US) 2019-01-17 — — 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 (4 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-10961270-B2 Compounds and compositions for treating conditions associated with sting activity STING1, CGAS, IRF3 HINT1 1249/4885HPGD 1546/4885NT5E 1878/4885
US-20200165288-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 HINT1 1249/4885HPGD 1546/4885NT5E 1878/4885
US-20190016750-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER STING1, CGAS, IRF3 HINT1 485/4885HPGD 517/4885NT5E 179/4885
US-20210147467-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 HINT1 1249/4885HPGD 1546/4885NT5E 1878/4885

“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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