SCHEMBL1300004

SCHEMBL1300004

CCOc1nc2c(cc1NCc1ccc(F)cc1)c(=O)c(C(=O)O)cn2C(CO[Si](C)(C)C(C)(C)C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.33
▸ CISD1 Q9NZ45 1/20 0.33
▸ ADORA3 P0DMS8 2/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ENPP2 Q13822 1/20 0.31
▸ GAA P10253 3/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ PPARA Q07869 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL16302723 0.93 PDE4B (0.40) PDE4BADORA3ADORA2AMAPK1ADORA2B
SCHEMBL1301188 0.88 METTL3 (0.39) PDE4BCISD1ADORA3MAPK1KDM4E
SCHEMBL1301193 0.88 METTL3 (0.39) PDE4BCISD1ADORA3MAPK1KDM4E
SCHEMBL1301036 0.86 PDE10A (0.33) ADORA3ADORA2AADORA1KDM4EMETTL3
SCHEMBL1300970 0.86 GAA (0.41) PDE4BCISD1MAPK1KDM4EGAA
SCHEMBL1299981 0.82 METTL3 (0.44) CISD1KDM4EGAAMAPTMETTL3
SCHEMBL1300601 0.82 TSHR (0.31) MEN1KMT2A
SCHEMBL12110612 0.81 PDE4B (0.42) PDE4BADORA3ADORA2AMAPK1ADORA2B
SCHEMBL1300290 0.80 METTL3 (0.43) CISD1KDM4EGAAL3MBTL1MAPT
SCHEMBL1300294 0.80 METTL3 (0.43) CISD1KDM4EGAAL3MBTL1MAPT

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 4 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
EP-2231665-A2 NOVEL COMPOSITIONS AND METHODS OF USE Ardea Biosciences, Inc. (US) 2010-09-29 — — EP disclosed
WO-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 — — WO 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 PDE4B 1082/4885CISD1 3880/4885ADORA3 3974/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP PDE4B 1082/4885CISD1 3880/4885ADORA3 3974/4885

“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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