SCHEMBL21979489

SCHEMBL21979489

COc1ccc(C(OCC2OC(n3cnc4c(=O)[nH]c(N)nc43)C(O[Si](C)(C)C(C)(C)C)C2NCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 9/20 0.53
▸ HINT1 P49773 4/20 0.48
▸ HPGD P15428 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ XDH P47989 1/20 0.39
▸ GSK3A P49840 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ NT5E P21589 2/20 0.38

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
SCHEMBL19128529 1.00 TYMP (0.53) TYMPHINT1HPGDTAS1R3TAS1R1
SCHEMBL28827056 0.91 TYMP (0.54) TYMPHINT1HPGDTAS1R3TAS1R1
SCHEMBL19127268 0.89 TYMP (0.63) TYMPHINT1HPGDTAS1R3TAS1R1
SCHEMBL17223100 0.88 TYMP (0.64) TYMPHINT1HPGDTAS1R3TAS1R1
SCHEMBL19127168 0.88 TYMP (0.47) TYMPHINT1HPGDNT5E
SCHEMBL20637781 0.86 ADORA1 (0.50) TYMPNT5E
SCHEMBL19146315 0.85 HINT1 (0.55) HINT1HPGDTAS1R3TAS1R1GSK3A
SCHEMBL19127992 0.84 TYMP (0.52) TYMPHINT1HPGDTAS1R3TAS1R1
SCHEMBL19127991 0.84 TYMP (0.52) TYMPHINT1HPGDTAS1R3TAS1R1
SCHEMBL16702978 0.82 TYMP (0.68) TYMPHINT1HPGDTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 2613/4885HINT1 1249/4885HPGD 1546/4885
US-20200165288-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 TYMP 2613/4885HINT1 1249/4885HPGD 1546/4885

“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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