SCHEMBL859835

SCHEMBL859835

CCOC(=O)C(C)(C)Oc1ccnn1-c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ PPARA Q07869 3/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ PPARG P37231 2/20 0.39
▸ HSD17B10 Q99714 3/20 0.38
▸ CDC25B P30305 2/20 0.38
▸ NPBWR1 P48145 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ FBP1 P09467 2/20 0.36

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
SCHEMBL859508 0.85 ALDH1A1 (0.53) ALDH1A1HPGDMAPTSMN1; SMN2PPARA
SCHEMBL859626 0.80 ALDH1A1 (0.58) ALDH1A1HPGDMAPTSMN1; SMN2PPARA
SCHEMBL859638 0.79 ALDH1A1 (0.47) ALDH1A1HPGDMAPTSMN1; SMN2HSD17B10
SCHEMBL9610139 0.70 ALDH1A1 (0.67) ALDH1A1HPGDMAPTSMN1; SMN2CYP3A4
SCHEMBL28216149 0.69 KMT2A (0.52) ALDH1A1HPGDMAPTSMN1; SMN2CYP1A2
SCHEMBL6312871 0.68 ALDH1A1 (0.56) ALDH1A1HPGDMAPTSMN1; SMN2TSHR
SCHEMBL27916120 0.68 NPC1 (0.50) ALDH1A1HPGDMAPTSMN1; SMN2CYP1A2
SCHEMBL859755 0.68 CDC25B (0.52) ALDH1A1HPGDMAPTSMN1; SMN2TSHR
SCHEMBL4835948 0.67 CDC25B (0.51) ALDH1A1HPGDMAPTSMN1; SMN2CYP1A2
SCHEMBL1355820 0.67 ALDH1A1 (0.66) ALDH1A1HPGDMAPTSMN1; SMN2CYP1A2

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 15 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-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 — — US disclosed
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-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 — — 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
US-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-17 — — 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-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
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 188/4885HPGD 846/4885MAPT 3061/4885
US-20120135929-A1 Methods Of Modulating Uric Acid Levels XDH, PON1, OAT ALDH1A1 167/4885HPGD 806/4885MAPT 3450/4885

“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