SCHEMBL1300623

SCHEMBL1300623

COc1nc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2C(CO)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.72
EGFR P00533 10/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PLA2G4A P47712 2/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL12107926 1.00 METTL3 (0.72) METTL3EGFRTSHRHIF1ATP53
SCHEMBL1300242 1.00 METTL3 (0.72) METTL3EGFRTSHRHIF1ATP53
SCHEMBL1300544 0.93 METTL3 (0.62) METTL3EGFRTSHRHIF1ATP53
SCHEMBL12107939 0.93 METTL3 (0.62) METTL3EGFRTSHRHIF1ATP53
SCHEMBL12107831 0.93 METTL3 (0.62) METTL3EGFRTP53POLBRXFP1
SCHEMBL13771368 0.93 METTL3 (0.62) METTL3EGFR
SCHEMBL12107935 0.92 METTL3 (0.64) METTL3EGFRTSHRHIF1ATP53
SCHEMBL12107968 0.91 METTL3 (0.61) METTL3EGFRTSHRHIF1ATP53
SCHEMBL12108084 0.90 METTL3 (0.69) METTL3TSHRHIF1ATHRB
SCHEMBL1301600 0.90 METTL3 (0.60) METTL3EGFRTSHRHIF1ATP53

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 6 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 claimed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 US claimed
EP-2231665-A2 NOVEL COMPOSITIONS AND METHODS OF USE Ardea Biosciences, Inc. (US) 2010-09-29 EP claimed
WO-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 WO claimed
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 METTL3 2709/4885EGFR 4552/4885TSHR 4868/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885EGFR 4552/4885TSHR 4868/4885

“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.