SCHEMBL1301430

SCHEMBL1301430

CC(C)(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)c(OCCO)nc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 2/20 0.54
MRGPRX4 Q96LA9 3/20 0.31
CD38 P28907 1/20 0.31
PTPN1 P18031 1/20 0.31
CFD P00746 3/20 0.31
THRB P10828 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
METTL14 Q9HCE5 1/20 0.30
TSHR P16473 1/20 0.30
HIF1A Q16665 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL1301433 1.00 METTL3 (0.54) METTL3MRGPRX4CD38PTPN1CFD
SCHEMBL1300489 0.96 METTL3 (0.53) METTL3MRGPRX4CD38PTPN1THRB
SCHEMBL1300488 0.96 METTL3 (0.53) METTL3MRGPRX4CD38PTPN1THRB
SCHEMBL12108014 0.95 METTL3 (0.52) METTL3MRGPRX4CD38PTPN1THRB
SCHEMBL1301401 0.94 METTL3 (0.54) METTL3MRGPRX4CFDKCNJ5KCNJ3
SCHEMBL1301404 0.94 METTL3 (0.54) METTL3MRGPRX4CFDKCNJ5KCNJ3
SCHEMBL12108004 0.93 METTL3 (0.54) METTL3MRGPRX4EGFR
SCHEMBL12108019 0.93 METTL3 (0.54) METTL3MRGPRX4EGFR
SCHEMBL1301011 0.93 METTL3 (0.54) METTL3MRGPRX4PTPN1THRBTSHR
SCHEMBL1301007 0.93 METTL3 (0.54) METTL3MRGPRX4PTPN1THRBTSHR

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 8 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
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 2709/4885MRGPRX4 4486/4885CD38 211/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885MRGPRX4 4486/4885CD38 211/4885

“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.