SCHEMBL19127249

SCHEMBL19127249

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2/N=C/c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 12/20 0.47
▸ KDM4E B2RXH2 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ NT5E P21589 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ IMPDH2 P12268 1/20 0.34
▸ HINT1 P49773 1/20 0.33
▸ ADORA1 P30542 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
SCHEMBL19127250 1.00 TYMP (0.47) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL25436741 0.91 TYMP (0.53) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL18954865 0.89 TYMP (0.57) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL10276802 0.89 TYMP (0.57) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL17230951 0.89 TYMP (0.57) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL1582220 0.89 TYMP (0.57) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL27154531 0.89 TYMP (0.57) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL21878006 0.89 TYMP (0.51) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL18954959 0.88 TYMP (0.57) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL21591933 0.88 TYMP (0.57) TYMPKDM4ETAS1R3TAS1R1NT5E

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-11505571-B2 Compounds and compositions for treating conditions associated with sting activity INNATE TUMOR IMMUNITY, INC. (US) 2022-11-22 — — US disclosed
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-10604542-B2 Cyclic dinucleotides for treating conditions associated with sting activity such as cancer INNATE TUMOR IMMUNITY, INC. (US) 2020-03-31 — — 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
EP-3402801-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER Innate Tumor Immunity, Inc. (US) 2018-11-21 — — EP disclosed
WO-2017123669-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER GLICK GARY (US) 2017-07-20 — — 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 (6 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 TYMP 2613/4885KDM4E 3992/4885TAS1R3 916/4885
US-20200165288-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 TYMP 2613/4885KDM4E 3992/4885TAS1R3 916/4885
US-11505571-B2 Compounds and compositions for treating conditions associated with sting activity STING1, CGAS, IRF3 TYMP 2613/4885KDM4E 3992/4885TAS1R3 916/4885
US-10604542-B2 Cyclic dinucleotides for treating conditions associated with sting activity such as cancer STING1, CGAS, IRF3 TYMP 112/4885KDM4E 2625/4885TAS1R3 2528/4885
US-20190016750-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER STING1, CGAS, IRF3 TYMP 112/4885KDM4E 2625/4885TAS1R3 2528/4885
US-20210147467-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 TYMP 2613/4885KDM4E 3992/4885TAS1R3 916/4885

“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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