SCHEMBL1300547

SCHEMBL1300547

COc1nc2c(cc1NCc1ccc(C(F)(F)F)cc1)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ASPH Q12797 3/20 0.41
▸ KDM8 Q8N371 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ RIOX2 Q8IUF8 2/20 0.41
▸ METTL3 Q86U44 1/20 0.40
▸ PDE9A O76083 2/20 0.39
▸ AURKA O14965 6/20 0.37
▸ RPS6KB1 P23443 6/20 0.37
▸ ACP1 P24666 1/20 0.37
▸ PPARA Q07869 3/20 0.37
▸ PPARD Q03181 1/20 0.36
▸ AURKB Q96GD4 3/20 0.35
▸ ENPP2 Q13822 1/20 0.34

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
SCHEMBL1300548 1.00 ASPH (0.41) ASPHKDM8KDM4ERIOX2METTL3
SCHEMBL1301716 0.92 METTL3 (0.43) METTL3AURKARPS6KB1AURKB
SCHEMBL1301717 0.92 METTL3 (0.43) METTL3AURKARPS6KB1AURKB
SCHEMBL1300290 0.91 METTL3 (0.43) ASPHKDM8KDM4ERIOX2METTL3
SCHEMBL1300294 0.91 METTL3 (0.43) ASPHKDM8KDM4ERIOX2METTL3
SCHEMBL1301348 0.90 METTL3 (0.40) ASPHKDM8KDM4ERIOX2METTL3
SCHEMBL1301351 0.90 METTL3 (0.40) ASPHKDM8KDM4ERIOX2METTL3
SCHEMBL1300641 0.90 METTL3 (0.44) ASPHKDM8KDM4ERIOX2METTL3
SCHEMBL1300646 0.90 METTL3 (0.44) ASPHKDM8KDM4ERIOX2METTL3
SCHEMBL1300784 0.90 METTL3 (0.43) ASPHKDM8KDM4ERIOX2METTL3

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-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 — — US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — 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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP ASPH 303/4885KDM8 177/4885KDM4E 656/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP ASPH 303/4885KDM8 177/4885KDM4E 656/4885

“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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