SCHEMBL861652

SCHEMBL861652

CC(C)(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(-c3ccc(CC(=O)O)cc3)cc2Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
GAA P10253 2/20 0.46
APOBEC3A P31941 2/20 0.46
APOBEC3G Q9HC16 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
NFE2 Q16621 1/20 0.42
LMNA P02545 7/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P4HB P07237 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL13867745 0.85 ALDH1A1 (0.39) ALDH1A1APOBEC3AAPOBEC3GSMN1; SMN2L3MBTL1
SCHEMBL860922 0.85 ALDH1A1 (0.43) ALDH1A1GAAAPOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL9912523 0.83 ALDH1A1 (0.49) ALDH1A1GAAAPOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL9612033 0.82 CYP2C9 (0.47) ALDH1A1GAAAPOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL9610068 0.80 POLB (0.52) ALDH1A1APOBEC3AAPOBEC3GSMN1; SMN2L3MBTL1
SCHEMBL9611995 0.79 ALDH1A1 (0.46) ALDH1A1GAAAPOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL9612020 0.77 ALDH1A1 (0.45) ALDH1A1GAAAPOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL860961 0.76 ALDH1A1 (0.43) ALDH1A1GAAAPOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL861014 0.76 ALDH1A1 (0.43) ALDH1A1GAAAPOBEC3AAPOBEC3GSMN1; SMN2
SCHEMBL9612036 0.75 ALDH1A1 (0.47) ALDH1A1GAAAPOBEC3AAPOBEC3GSMN1; SMN2

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 9 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-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-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 US 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
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 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-20120135929-A1 Methods Of Modulating Uric Acid Levels XDH, PON1, OAT ALDH1A1 167/4885GAA 246/4885APOBEC3A 663/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E ALDH1A1 411/4885GAA 954/4885APOBEC3A 373/4885

“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.