SCHEMBL1300751

SCHEMBL1300751

CC(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2ncc(Cc3cccc(Cl)c3F)cc21

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.63
GRIN2B Q13224 11/20 0.37
NOTUM Q6P988 1/20 0.32
CXCR2 P25025 2/20 0.32
CFD P00746 2/20 0.32
RORC P51449 2/20 0.32
ALOX5AP P20292 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
SCHEMBL1301034 0.87 METTL3 (0.64) METTL3GRIN2BNOTUMCXCR2CFD
SCHEMBL1301031 0.87 METTL3 (0.64) METTL3GRIN2BNOTUMCXCR2CFD
SCHEMBL12108253 0.84 METTL3 (0.62) METTL3NOTUMCXCR2CFDALOX5AP
SCHEMBL1045282 0.83 METTL3 (0.73) METTL3NOTUMCFD
SCHEMBL1045281 0.83 METTL3 (0.73) METTL3NOTUMCFD
SCHEMBL1301704 0.83 METTL3 (0.70) METTL3NOTUMCFD
SCHEMBL1300690 0.83 METTL3 (0.62) METTL3NOTUMCXCR2CFDALOX5AP
SCHEMBL1301960 0.83 METTL3 (0.69) METTL3GRIN2BNOTUMCXCR2CFD
SCHEMBL1300388 0.82 METTL3 (0.73) METTL3CXCR2CFD
SCHEMBL1300054 0.81 METTL3 (0.42) METTL3GRIN2B

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 disclosed
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
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 2709/4885GRIN2B 4076/4885NOTUM 1055/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885GRIN2B 4076/4885NOTUM 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.