SCHEMBL12108366

SCHEMBL12108366

COc1nc2c(cc1-c1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.59
▸ PRKAG1 P54619 3/20 0.35
▸ PRKAA1 Q13131 3/20 0.35
▸ PRKAB1 Q9Y478 3/20 0.35
▸ PRKAB2 O43741 2/20 0.35
▸ PRKAA2 P54646 2/20 0.35
▸ PRKAG3 Q9UGI9 2/20 0.35
▸ PRKAG2 Q9UGJ0 2/20 0.35
▸ GRIN2B Q13224 2/20 0.33
▸ MDM2 Q00987 3/20 0.33
▸ CTSA P10619 3/20 0.33
▸ KMO O15229 2/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ PPARG P37231 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ GSK3B P49841 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
SCHEMBL12108387 0.88 METTL3 (0.46) METTL3PPARGCHRM1GSK3B
SCHEMBL1301495 0.88 METTL3 (0.56) METTL3
SCHEMBL12107926 0.88 METTL3 (0.72) METTL3THRB
SCHEMBL1300242 0.88 METTL3 (0.72) METTL3THRB
SCHEMBL1300623 0.88 METTL3 (0.72) METTL3THRB
SCHEMBL1301499 0.88 METTL3 (0.56) METTL3
SCHEMBL12108363 0.86 METTL3 (0.48) METTL3PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL12108368 0.86 METTL3 (0.48) METTL3PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL13771684 0.86 METTL3 (0.48) METTL3PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL12108311 0.86 METTL3 (0.58) METTL3GSK3B

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 2709/4885PRKAG1 1155/4885PRKAA1 1004/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885PRKAG1 1155/4885PRKAA1 1004/4885

“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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