SCHEMBL19127994

SCHEMBL19127994

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2NCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 5/20 0.59
▸ ADORA1 P30542 2/20 0.59
▸ CARM1 Q86X55 2/20 0.53
▸ NT5E P21589 1/20 0.51
▸ AHCY P23526 1/20 0.50
▸ DOT1L Q8TEK3 1/20 0.49
▸ TRDMT1 O14717 1/20 0.48

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
SCHEMBL31670489 1.00 TYMP (0.59) TYMPADORA1CARM1NT5EAHCY
SCHEMBL16715145 0.88 ADORA1 (0.75) TYMPADORA1TRDMT1
SCHEMBL8359104 0.88 ADORA1 (0.75) TYMPADORA1TRDMT1
SCHEMBL1068571 0.88 ADORA1 (0.75) TYMPADORA1TRDMT1
SCHEMBL15993919 0.88 ADORA1 (0.75) TYMPADORA1TRDMT1
SCHEMBL20637781 0.88 ADORA1 (0.50) TYMPADORA1CARM1NT5EAHCY
SCHEMBL1068575 0.86 ADORA1 (0.64) TYMPADORA1NT5EDOT1LTRDMT1
SCHEMBL19127268 0.85 TYMP (0.63) TYMPNT5E
SCHEMBL29799117 0.85 NT5E (0.65) TYMPADORA1NT5E
SCHEMBL18042131 0.85 ADORA1 (0.64) TYMPADORA1NT5ETRDMT1

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 6 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
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 (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 TYMP 2613/4885ADORA1 842/4885CARM1 2608/4885
US-20200165288-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 TYMP 2613/4885ADORA1 842/4885CARM1 2608/4885
US-11505571-B2 Compounds and compositions for treating conditions associated with sting activity STING1, CGAS, IRF3 TYMP 2613/4885ADORA1 842/4885CARM1 2608/4885
US-20210147467-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 TYMP 2613/4885ADORA1 842/4885CARM1 2608/4885

“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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