SCHEMBL9610068

SCHEMBL9610068

CC(C)(C)c1ccc(-n2nnnc2SCC(=O)O)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.52
ALDH1A1 P00352 8/20 0.52
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.48
LMNA P02545 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
NTRK1 P04629 1/20 0.43
NTRK2 Q16620 1/20 0.43
NFE2 Q16621 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP2C19 P33261 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 0.81 ALDH1A1 (0.39) POLBALDH1A1MAPK1TP53LMNA
SCHEMBL861652 0.80 ALDH1A1 (0.46) POLBALDH1A1LMNAL3MBTL1MAPT
SCHEMBL1493435 0.79 ALDH1A1 (0.79) POLBALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL9912523 0.79 ALDH1A1 (0.49) POLBALDH1A1LMNAL3MBTL1MAPT
SCHEMBL4736153 0.79 SLC22A12 (0.49) ALDH1A1TP53LMNAKMT2AHTT
SCHEMBL9610101 0.79 POLB (0.51) POLBALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL1493416 0.77 POLB (0.58) POLBALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL4735964 0.76 TP53 (0.45) ALDH1A1MAPK1TP53LMNAL3MBTL1
SCHEMBL9612033 0.76 CYP2C9 (0.47) POLBALDH1A1LMNAL3MBTL1MAPT
SCHEMBL9611995 0.76 ALDH1A1 (0.46) POLBALDH1A1LMNAL3MBTL1MAPT

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 10 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-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
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
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
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 (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 POLB 2508/4885ALDH1A1 167/4885MAPK1 4577/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E POLB 29/4885ALDH1A1 411/4885MAPK1 2421/4885

“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.