SCHEMBL860961

SCHEMBL860961

CC(C)(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(C#CC3(O)CCC3)cc2Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.43
GAA P10253 2/20 0.43
APOBEC3A P31941 2/20 0.43
APOBEC3G Q9HC16 2/20 0.43
LMNA P02545 6/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
CLK1 P49759 1/20 0.39
USP2 O75604 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL9611995 0.86 ALDH1A1 (0.46) ALDH1A1GAAAPOBEC3AAPOBEC3GLMNA
SCHEMBL861014 0.85 ALDH1A1 (0.43) ALDH1A1GAAAPOBEC3AAPOBEC3GLMNA
SCHEMBL9912523 0.80 ALDH1A1 (0.49) ALDH1A1GAAAPOBEC3AAPOBEC3GLMNA
SCHEMBL9612033 0.79 CYP2C9 (0.47) ALDH1A1GAAAPOBEC3AAPOBEC3GLMNA
SCHEMBL9612075 0.77 ALDH1A1 (0.41) ALDH1A1GAAAPOBEC3AAPOBEC3GLMNA
SCHEMBL860991 0.77 ALDH1A1 (0.42) ALDH1A1GAAAPOBEC3AAPOBEC3GLMNA
SCHEMBL861652 0.76 ALDH1A1 (0.46) ALDH1A1GAAAPOBEC3AAPOBEC3GLMNA
SCHEMBL9911390 0.76 ALDH1A1 (0.44) ALDH1A1GAAAPOBEC3AAPOBEC3GLMNA
SCHEMBL861077 0.75 ALDH1A1 (0.43) ALDH1A1GAAAPOBEC3AAPOBEC3GLMNA
SCHEMBL9612036 0.74 ALDH1A1 (0.47) ALDH1A1GAAAPOBEC3AAPOBEC3GLMNA

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
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
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 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.