SCHEMBL12110636

SCHEMBL12110636

CC(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(NCc3cccc(Cl)c3F)ncc21

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.63
▸ CD38 P28907 1/20 0.38
▸ CFD P00746 8/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ NTRK1 P04629 1/20 0.36

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
SCHEMBL1300851 0.87 METTL3 (0.58) METTL3
SCHEMBL1300854 0.87 METTL3 (0.58) METTL3
SCHEMBL1301704 0.86 METTL3 (0.70) METTL3CFDNTRK1
SCHEMBL13225647 0.80 METTL3 (0.81) METTL3CFD
SCHEMBL1050772 0.80 METTL3 (0.81) METTL3CFD
SCHEMBL4368590 0.80 METTL3 (0.81) METTL3CFD
SCHEMBL2280900 0.80 METTL3 (0.81) METTL3CFD
SCHEMBL1045282 0.80 METTL3 (0.73) METTL3CFD
SCHEMBL4369463 0.80 METTL3 (0.81) METTL3CFD
SCHEMBL30697922 0.80 METTL3 (0.81) METTL3CFD

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-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 2709/4885CD38 211/4885CFD 4253/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885CD38 211/4885CFD 4253/4885

“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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