SCHEMBL1301960

SCHEMBL1301960

COc1nc2c(=O)c(C(=O)O)cn([C@H](CO)C(C)C)c2cc1Cc1cccc(Cl)c1F

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.69
PLA2G4A P47712 2/20 0.33
CXCR2 P25025 2/20 0.31
HTR1B P28222 1/20 0.31
CX3CR1 P49238 1/20 0.31
NOTUM Q6P988 1/20 0.31
CMA1 P23946 2/20 0.31
CD38 P28907 1/20 0.31
CFD P00746 2/20 0.31
MDM2 Q00987 1/20 0.31
MPO P05164 1/20 0.31
GRIN2B Q13224 1/20 0.31
PIK3C2B O00750 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30
SLC16A3 O15427 1/20 0.30
SLC16A1 P53985 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
SCHEMBL13771183 0.90 METTL3 (0.56) METTL3
SCHEMBL1300388 0.88 METTL3 (0.73) METTL3PLA2G4ACXCR2HTR1BCX3CR1
SCHEMBL1300242 0.87 METTL3 (0.72) METTL3PLA2G4A
SCHEMBL1300623 0.87 METTL3 (0.72) METTL3PLA2G4A
SCHEMBL12107926 0.87 METTL3 (0.72) METTL3PLA2G4A
SCHEMBL12108253 0.85 METTL3 (0.62) METTL3CXCR2HTR1BCX3CR1NOTUM
SCHEMBL1300690 0.84 METTL3 (0.62) METTL3CXCR2HTR1BCX3CR1NOTUM
SCHEMBL1300751 0.83 METTL3 (0.63) METTL3CXCR2NOTUMCFDGRIN2B
SCHEMBL1300379 0.82 METTL3 (0.67) METTL3PLA2G4ANOTUMCFDMDM2
Elvitegravir SCHEMBL726252 0.82 METTL3 (1.00) METTL3PLA2G4ACMA1

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 2709/4885PLA2G4A 2119/4885CXCR2 3579/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP METTL3 2709/4885PLA2G4A 2119/4885CXCR2 3579/4885

“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.