SCHEMBL1301034

SCHEMBL1301034

CC(C)C(CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)cnc21

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.64
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
NOTUM Q6P988 1/20 0.33
CXCR2 P25025 2/20 0.33
CFD P00746 4/20 0.32
THRB P10828 1/20 0.32
GRIN2B Q13224 1/20 0.32
SCN9A Q15858 1/20 0.32
CHRM1 P11229 1/20 0.32
BRS3 P32247 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
SCHEMBL1301031 1.00 METTL3 (0.64) METTL3TSHRHIF1ANOTUMCXCR2
SCHEMBL13771387 0.89 METTL3 (0.53) METTL3TSHRHIF1ANOTUMCFD
SCHEMBL12108134 0.88 METTL3 (0.48) METTL3TSHRHIF1ACHRM1BRS3
SCHEMBL1300751 0.87 METTL3 (0.63) METTL3NOTUMCXCR2CFDGRIN2B
SCHEMBL1300777 0.87 METTL3 (0.65) METTL3TSHRHIF1ANOTUMCXCR2
SCHEMBL1300764 0.87 METTL3 (0.65) METTL3TSHRHIF1ANOTUMCXCR2
SCHEMBL1301518 0.87 METTL3 (0.51) METTL3
SCHEMBL12108084 0.86 METTL3 (0.69) METTL3TSHRHIF1ANOTUMCXCR2
SCHEMBL1045282 0.86 METTL3 (0.73) METTL3NOTUMCFDCHRM1
SCHEMBL1045281 0.86 METTL3 (0.73) METTL3NOTUMCFDCHRM1

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 2 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

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 2709/4885TSHR 4868/4885HIF1A 3992/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885TSHR 4868/4885HIF1A 3992/4885

“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.