SCHEMBL1301532

SCHEMBL1301532

CC(C)(C)C(CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)c(OCc3cccnc3)nc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.49
▸ PDCD1 Q15116 11/20 0.38
▸ CD274 Q9NZQ7 11/20 0.38
▸ PRKAB2 O43741 1/20 0.36
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ PRKAG3 Q9UGI9 1/20 0.36
▸ PRKAG2 Q9UGJ0 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36
▸ GPR132 Q9UNW8 2/20 0.35
▸ SGMS2 Q8NHU3 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33

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
SCHEMBL1301528 1.00 METTL3 (0.49) METTL3PDCD1CD274PRKAB2PRKAG1
SCHEMBL12107675 0.91 METTL3 (0.38) METTL3PDCD1CD274GPR132SGMS2
SCHEMBL1301007 0.89 METTL3 (0.54) METTL3
SCHEMBL1301011 0.89 METTL3 (0.54) METTL3
SCHEMBL1301600 0.89 METTL3 (0.60) METTL3
SCHEMBL1301597 0.89 METTL3 (0.60) METTL3
SCHEMBL1301433 0.88 METTL3 (0.54) METTL3
SCHEMBL1301430 0.88 METTL3 (0.54) METTL3
SCHEMBL1300489 0.87 METTL3 (0.53) METTL3
SCHEMBL1300488 0.87 METTL3 (0.53) METTL3

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 2709/4885PDCD1 4195/4885CD274 4553/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885PDCD1 4195/4885CD274 4553/4885

“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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