SCHEMBL26533944

SCHEMBL26533944

COc1ccc(C(O[C@@H]2[C@H](C)[C@@H](COP(OCCC#N)N(C(C)C)C(C)C)O[C@H]2n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYMP P19971 6/20 0.40
KDM4E B2RXH2 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
HPGD P15428 1/20 0.34
HINT1 P49773 3/20 0.32
ALDH1A1 P00352 1/20 0.31
NT5E P21589 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL26534796 0.95 TYMP (0.40) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL26347716 0.93 TYMP (0.40) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL23138150 0.89 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL668619 0.89 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL7202323 0.89 KDM4E (0.49) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL23456230 0.88 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL22401412 0.88 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL24166806 0.88 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL6519372 0.88 TYMP (0.44) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL30866953 0.87 TYMP (0.44) TYMPKDM4ETAS1R3TAS1R1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787833-B2 Modified cyclic dinucleoside compounds as sting modulators ALIGOS THERAPEUTICS, INC. (US) 2023-10-17 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 (1 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-11787833-B2 Modified cyclic dinucleoside compounds as sting modulators STING1, CGAS, IRF3 TYMP 239/4885KDM4E 3225/4885TAS1R3 2072/4885

“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.