SCHEMBL12108158

SCHEMBL12108158

CC(C)(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)ncc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.56
▸ PIK3CG P48736 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ CFD P00746 4/20 0.32
▸ THRB P10828 1/20 0.31
▸ RORC P51449 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
SCHEMBL1301704 0.89 METTL3 (0.70) METTL3PIK3CGGAAHTTMRGPRX4
SCHEMBL12108173 0.89 METTL3 (0.60) METTL3PIK3CGGAAHTTMRGPRX4
SCHEMBL12108176 0.89 METTL3 (0.55) METTL3PIK3CGGAAHTTMRGPRX4
SCHEMBL12108160 0.87 METTL3 (0.55) METTL3PIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL12108172 0.86 METTL3 (0.53) METTL3PIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL12108184 0.86 METTL3 (0.53) METTL3PIK3CGGAAHTTMRGPRX4
SCHEMBL1045210 0.85 METTL3 (0.58) METTL3PIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL1045211 0.85 METTL3 (0.58) METTL3PIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL15082529 0.85 METTL3 (0.65) METTL3PIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL12108164 0.85 METTL3 (0.60) METTL3PIK3CGPIK3CDPIK3R1PIK3CA

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 5 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
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 — — US disclosed
WO-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 — — WO 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 2709/4885PIK3CG 80/4885PIK3CD 108/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885PIK3CG 80/4885PIK3CD 108/4885

“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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