SCHEMBL859530

SCHEMBL859530

Cc1ccc(-n2nnc([Si](C)(C)C)c2SCC(=O)OC(C)(C)C)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPOX P50336 3/20 0.39
ALDH1A1 P00352 6/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
GLA P06280 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9610097 0.79 PPOX (0.41) PPOXALDH1A1LMNAMEN1KMT2A
SCHEMBL9610129 0.70 KDM5A (0.45) ALDH1A1HPGD
SCHEMBL13064242 0.67 ALDH1A1 (0.46) PPOXALDH1A1LMNAMEN1KMT2A
SCHEMBL846807 0.66 PDE2A (0.36) PPOXALDH1A1MEN1KMT2ACYP2C9
SCHEMBL19386035 0.63 NPC1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1HPGD
SCHEMBL9610123 0.63 KDM4A (0.40) ALDH1A1LMNAMEN1KMT2ACYP3A4
SCHEMBL860225 0.62 HSD11B1 (0.52) ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL2366297 0.61 GPR119 (0.52) ALDH1A1LMNAMEN1KMT2ACYP2C19
SCHEMBL29812367 0.60 POLB (0.48) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL19403427 0.60 POLB (0.48) ALDH1A1LMNAMEN1KMT2AL3MBTL1

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-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 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
WO-2010135530-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 WO disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 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 (3 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 PPOX 1762/4885ALDH1A1 188/4885LMNA 523/4885
US-20120135929-A1 Methods Of Modulating Uric Acid Levels XDH, PON1, OAT PPOX 1717/4885ALDH1A1 167/4885LMNA 794/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E PPOX 3881/4885ALDH1A1 411/4885LMNA 2438/4885

“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.