SCHEMBL12108172

SCHEMBL12108172

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.53
▸ PIK3CG P48736 2/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CFD P00746 7/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ NTRK1 P04629 2/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ TOP1 P11387 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
SCHEMBL12108170 0.95 METTL3 (0.52) METTL3PIK3CGNOTUMKDM4EMAPT
SCHEMBL12108160 0.93 METTL3 (0.55) METTL3PIK3CGNOTUMKDM4EMAPT
SCHEMBL12108176 0.93 METTL3 (0.55) METTL3PIK3CGNOTUMKDM4EMAPT
SCHEMBL12108173 0.88 METTL3 (0.60) METTL3PIK3CGNOTUMCFDGAA
SCHEMBL1301704 0.87 METTL3 (0.70) METTL3PIK3CGNOTUMKDM4EMAPT
SCHEMBL12108164 0.86 METTL3 (0.60) METTL3PIK3CGKDM4EMAPTCFD
SCHEMBL12108158 0.86 METTL3 (0.56) METTL3PIK3CGNOTUMKDM4EMAPT
SCHEMBL1079178 0.86 METTL3 (0.55) METTL3NOTUMKDM4EMAPTCFD
SCHEMBL1079181 0.86 METTL3 (0.55) METTL3NOTUMKDM4EMAPTCFD
SCHEMBL12108182 0.85 METTL3 (0.48) METTL3PIK3CGKDM4ECFDPIK3CD

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 80/4885NOTUM 1055/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885PIK3CG 80/4885NOTUM 1055/4885

“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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