SCHEMBL19127991

SCHEMBL19127991

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)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 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 9/20 0.52
▸ HPGD P15428 1/20 0.46
▸ HINT1 P49773 2/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ GSK3A P49840 2/20 0.38
▸ RPS6KA3 P51812 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ XDH P47989 1/20 0.37
▸ NT5E P21589 2/20 0.37
▸ IMPDH2 P12268 1/20 0.36
▸ TAAR1 Q96RJ0 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
SCHEMBL19127992 1.00 TYMP (0.52) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL19128862 0.89 TYMP (0.47) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL19128859 0.89 TYMP (0.47) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL19127250 0.88 TYMP (0.47) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL19127249 0.88 TYMP (0.47) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL17223100 0.88 TYMP (0.64) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL29832246 0.86 ADORA1 (0.49) TYMPNT5E
SCHEMBL19127764 0.86 ADORA1 (0.49) TYMPNT5E
SCHEMBL19146820 0.85 HPGD (0.49) HPGDHINT1TAS1R3TAS1R1GSK3A
SCHEMBL28827056 0.85 TYMP (0.54) TYMPHPGDHINT1TAS1R3TAS1R1

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 2613/4885HPGD 1546/4885HINT1 1249/4885
US-20200165288-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 TYMP 2613/4885HPGD 1546/4885HINT1 1249/4885
US-11505571-B2 Compounds and compositions for treating conditions associated with sting activity STING1, CGAS, IRF3 TYMP 2613/4885HPGD 1546/4885HINT1 1249/4885
US-10604542-B2 Cyclic dinucleotides for treating conditions associated with sting activity such as cancer STING1, CGAS, IRF3 TYMP 112/4885HPGD 517/4885HINT1 485/4885
US-20190016750-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER STING1, CGAS, IRF3 TYMP 112/4885HPGD 517/4885HINT1 485/4885
US-20210147467-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 TYMP 2613/4885HPGD 1546/4885HINT1 1249/4885

“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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