SCHEMBL10462504

SCHEMBL10462504

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)C(OC(=S)N3CCS(=O)(=O)CC3)C2OP(OCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 10/20 0.41
▸ KDM4E B2RXH2 1/20 0.36
▸ TAS1R3 Q7RTX0 2/20 0.32
▸ TAS1R1 Q7RTX1 2/20 0.32
▸ HPGD P15428 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ NT5E P21589 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
SCHEMBL10457830 0.96 TYMP (0.40) TYMPKDM4ETAS1R3TAS1R1
SCHEMBL31635532 0.96 TYMP (0.40) TYMPKDM4ETAS1R3TAS1R1
SCHEMBL13838198 0.96 TYMP (0.40) TYMPKDM4ETAS1R3TAS1R1
SCHEMBL10459534 0.87 TYMP (0.51) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL10460984 0.87 TYMP (0.51) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL10461189 0.86 TYMP (0.38) TYMP
SCHEMBL10457923 0.86 TYMP (0.38) TYMP
SCHEMBL23138150 0.85 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL668619 0.85 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL30866953 0.85 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-20120184724-A1 PROTECTED MONOMERS AND METHODS OF DEPROTECTION FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2012-07-19 — — 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-20120184724-A1 PROTECTED MONOMERS AND METHODS OF DEPROTECTION FOR RNA SYNTHESIS RNMT, RNGTT, NSUN2 TYMP 91/4885KDM4E 3200/4885TAS1R3 3654/4885

“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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