SCHEMBL250058

SCHEMBL250058

CCc1ccc(-n2c(Br)nnc2SCC(=O)Nc2ccc(C(N)=O)cc2Cl)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
SLC22A12 Q96S37 5/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC22A11 Q9NSA0 1/20 0.43
SLC2A9 Q9NRM0 2/20 0.42
IL15 P40933 4/20 0.42
IL2 P60568 2/20 0.42
IL15RA Q13261 1/20 0.42
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1719377 0.93 SLC22A12 (0.45) ALDH1A1GAAAPOBEC3AAPOBEC3GSLC22A12
SCHEMBL3435652 0.87 SLC22A12 (0.48) ALDH1A1GAAAPOBEC3AAPOBEC3GSLC22A12
SCHEMBL246489 0.87 CA1 (0.49) ALDH1A1GAAAPOBEC3AAPOBEC3GSLC22A12
SCHEMBL248724 0.86 SLC22A12 (0.62) ALDH1A1GAAAPOBEC3AAPOBEC3GSLC22A12
SCHEMBL12010033 0.83 MAPT (0.47) ALDH1A1GAAAPOBEC3AAPOBEC3GSLC22A12
SCHEMBL29376753 0.79 SLC22A12 (0.65) ALDH1A1GAASLC22A12CYP2C9CYP2C19
SCHEMBL248221 0.79 SLC22A12 (0.65) ALDH1A1GAASLC22A12CYP2C9CYP2C19
SCHEMBL253614 0.78 SLC22A12 (0.62) ALDH1A1SLC22A12CYP2C9CYP2C19CYP1A2
Potassium SCHEMBL30892115 0.78 SLC22A12 (0.64) ALDH1A1GAASLC22A12CYP2C9CYP2C19
SCHEMBL14921536 0.78 SLC22A12 (0.64) ALDH1A1GAASLC22A12CYP2C9CYP2C19

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150094284-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. 2015-04-02 US claimed
US-8252828-B2 S-triazolyl α-mercapto acetanilides as inhibitors of HIV reverse transcriptase ARDEA BIOSCIENCES, INC. (US) 2012-08-28 US claimed
US-20110313157-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES INC. (US) 2011-12-22 US claimed
US-20100267724-A2 S-TRIAZOLE ALPHA-MERCAPTOACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. (US) 2010-10-21 US claimed
EP-1789039-A4 S-TRIAZOLYL ALPHA -MERCAPTOACETANILDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES INC (US) 2009-08-05 EP claimed
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase ARDEA BIOSCIENCES, INC. 2008-07-24 US claimed
JP-2008510828-A 2008-04-10 JP claimed
EP-1789039-A2 S-TRIAZOLYL ALPHA -MERCAPTOACETANILDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE Ardea Biosciences, Inc. (US) 2007-05-30 EP claimed
WO-2006026356-A2 S-TRIAZOLYL α-MERCAPTOACETANILDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. (US) 2006-03-09 WO claimed
US-20180002296-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. 2018-01-04 US disclosed
US-20150094284-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. 2015-04-02 US disclosed
US-8946273-B2 S-Triazolyl alpha-mercapto acetanilides as inhibitors of HIV reverse transcriptase ARDEA BIOSCIENCES, INC. (US) 2015-02-03 US disclosed
US-8481581-B2 S-triazolyl α-mercaptoacetanilides as inhibitors of HIV reverse transcriptase ARDEA BIOSCIENCES, INC. (US) 2013-07-09 US disclosed
EP-2609917-A1 Triazolyl alpha -mercaptoacetanilides as inhibitors of HIV reverse transcriptase Ardea Biosciences, Inc. (US) 2013-07-03 EP disclosed
US-20100069645-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER ARDEA BIOSCIENCES, INC. 2010-03-18 US disclosed
EP-2135608-A1 S-triazolyl alpha -mercaptoacetanilides as inhibitors of HIV reverse transcriptase Ardea Biosciences, Inc. (US) 2009-12-23 EP disclosed
EP-1789039-A4 S-TRIAZOLYL ALPHA -MERCAPTOACETANILDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES INC (US) 2009-08-05 EP disclosed
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase ARDEA BIOSCIENCES, INC. 2008-07-24 US disclosed
EP-1789039-A2 S-TRIAZOLYL ALPHA -MERCAPTOACETANILDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE Ardea Biosciences, Inc. (US) 2007-05-30 EP disclosed
WO-2006026356-A2 S-TRIAZOLYL α-MERCAPTOACETANILDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. (US) 2006-03-09 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 (6 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-20150094284-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST ALDH1A1 1407/4885GAA 610/4885APOBEC3A 1551/4885
US-20100069645-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER GRHPR, POLR2H, ME2 ALDH1A1 1839/4885GAA 1403/4885APOBEC3A 2083/4885
US-20180002296-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST ALDH1A1 1407/4885GAA 610/4885APOBEC3A 1551/4885
US-20100267724-A2 S-TRIAZOLE ALPHA-MERCAPTOACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, QTRT1 ALDH1A1 1135/4885GAA 612/4885APOBEC3A 1298/4885
US-20110313157-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST ALDH1A1 1407/4885GAA 610/4885APOBEC3A 1551/4885
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase SPR, POLR2H, QTRT1 ALDH1A1 1574/4885GAA 534/4885APOBEC3A 1519/4885

“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.