SCHEMBL859723

SCHEMBL859723

CCOC(=O)CSc1c([Si](C)(C)C)nnn1-c1cccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.66
▸ SMN1; SMN2 Q16637 5/20 0.66
▸ HPGD P15428 2/20 0.66
▸ MAPT P10636 1/20 0.66
▸ HSD17B10 Q99714 2/20 0.52
▸ ELANE P08246 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ PRNP P04156 5/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ RXFP1 Q9HBX9 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL859834 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10
SCHEMBL859751 0.80 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10
SCHEMBL5958900 0.78 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10
SCHEMBL28702281 0.70 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10
SCHEMBL10463769 0.70 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10
SCHEMBL19851100 0.67 TSHR (0.66) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10
SCHEMBL28216149 0.67 KMT2A (0.52) ALDH1A1SMN1; SMN2HPGDMAPTKMT2A
SCHEMBL1493466 0.66 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10
SCHEMBL9610139 0.65 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10
SCHEMBL845526 0.65 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDMAPTHSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 — — US disclosed
US-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 — — US disclosed
US-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-17 — — US disclosed
EP-2432774-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS Ardea Biosciences, Inc. (US) 2012-03-28 — — EP disclosed
EP-2432468-A2 METHODS OF MODULATING URIC ACID LEVELS Ardea Biosciences, Inc. (US) 2012-03-28 — — EP disclosed
WO-2010135536-A2 METHODS OF MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 — — WO disclosed
WO-2010135530-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 — — 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-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels XDH, PON1, RBP4 ALDH1A1 188/4885SMN1; SMN2 1435/4885HPGD 846/4885
US-20120135929-A1 Methods Of Modulating Uric Acid Levels XDH, PON1, OAT ALDH1A1 167/4885SMN1; SMN2 1281/4885HPGD 806/4885

“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.

Send feedback