SCHEMBL6519372

SCHEMBL6519372

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](OC(F)(F)F)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.44
KDM4E B2RXH2 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
NT5E P21589 1/20 0.33
HPGD P15428 1/20 0.33
TAAR1 Q96RJ0 1/20 0.31
HINT1 P49773 1/20 0.31

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
SCHEMBL23138150 0.95 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL668619 0.95 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL30866953 0.93 TYMP (0.44) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL17861001 0.93 TYMP (0.44) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL1598576 0.93 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL25307592 0.93 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL23456230 0.93 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL22401412 0.93 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL24166806 0.93 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL24166326 0.93 TYMP (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542505-B1 Substituted RIG-I agonists: compositions and methods thereof MERCK SHARP & DOHME LLC (US) 2023-01-03 US disclosed
US-11542505-B1 Substituted RIG-I agonists: compositions and methods thereof MERCK SHARP & DOHME LLC (US) 2023-01-03 US disclosed
US-20050266422-A1 Fluoroalkoxy, nucleosides, nucleotides, and polynucleotides SIRNA THERAPEUTICS, INC. (US) 2005-12-01 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-20050266422-A1 Fluoroalkoxy, nucleosides, nucleotides, and polynucleotides NSUN3, IRF3, SNRPF TYMP 598/4885KDM4E 4548/4885TAS1R3 618/4885
US-11542505-B1 Substituted RIG-I agonists: compositions and methods thereof MAVS, TLR3, DDX18 TYMP 1375/4885KDM4E 3984/4885TAS1R3 1556/4885

“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.