SCHEMBL2215519

SCHEMBL2215519

COc1ccc(C(OC(C(=O)COc2ccccc2)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](OCOCC(C(F)(F)F)C(F)(F)F)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
TYMP P19971 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
HINT1 P49773 2/20 0.32
KRAS P01116 2/20 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
SCHEMBL2107681 0.95 HPGD (0.37) HPGDTAAR1TYMPTAS1R3TAS1R1
SCHEMBL15878701 0.94 HPGD (0.36) HPGDTAAR1TYMPTAS1R3TAS1R1
SCHEMBL3905624 0.89 HPGD (0.37) HPGDTAAR1TYMPTAS1R3TAS1R1
SCHEMBL2108084 0.89 HPGD (0.38) HPGDTAAR1TYMPTAS1R3TAS1R1
SCHEMBL2215262 0.85 TYMP (0.43) HPGDTAAR1TYMPTAS1R3TAS1R1
SCHEMBL2213753 0.84 CARM1 (0.34) TYMP
SCHEMBL15048538 0.84 CARM1 (0.34) TYMP
SCHEMBL12513080 0.84 TYMP (0.40) TYMPTAS1R3TAS1R1
SCHEMBL2106148 0.84 TYMP (0.42) HPGDTAAR1TYMPTAS1R3TAS1R1
SCHEMBL15841440 0.83 TYMP (0.41) HPGDTAAR1TYMPTAS1R3TAS1R1

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-8470987-B2 Protective group for synthesis of RNA and derivative CHIRALGEN, LTD. (JP) 2013-06-25 US disclosed
US-20110178284-A1 Novel protective group for synthesis of RNA and derivative CHIRALGEN, LTD. (JP) 2011-07-21 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-20110178284-A1 Novel protective group for synthesis of RNA and derivative RNGTT, FBL, RNASEH1 HPGD 1858/4885TAAR1 3177/4885TYMP 3514/4885

“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.