SCHEMBL248407

SCHEMBL248407

Cc1ccc(-n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3Cl)nnc2C(F)F)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
KDR P35968 1/20 0.45
CA1 P00915 11/20 0.44
CA2 P00918 11/20 0.44
CA9 Q16790 4/20 0.44
EGFR P00533 3/20 0.44
ERBB2 P04626 3/20 0.44
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
HK1 P19367 2/20 0.42
HTT P42858 2/20 0.42
HKDC1 Q2TB90 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CA12 O43570 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42

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
SCHEMBL254195 0.93 KDR (0.47) HPGDKDRCA1CA2CA9
SCHEMBL16609001 0.92 HPGD (0.44) HPGDKDRCA1CA2CA9
SCHEMBL12379029 0.90 HTT (0.49) HPGDKDRCA1CA2CA9
SCHEMBL250123 0.88 HPGD (0.48) HPGDKDRCA1CA2CA9
SCHEMBL3435725 0.88 SLC22A12 (0.52) HPGDCA1CA2CA9EGFR
SCHEMBL843130 0.83 CA1 (0.42) HPGDCA1CA2CA9EGFR
SCHEMBL12379027 0.82 KDR (0.50) KDRCA1CA2CA9EGFR
SCHEMBL1563220 0.82 KDR (0.47) HPGDKDRCA1CA2CA9
SCHEMBL13090729 0.82 HTT (0.47) HPGDKDRCA1CA2CA9
SCHEMBL879151 0.81 ALDH1A1 (0.45) HTTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
US-8481581-B2 S-triazolyl α-mercaptoacetanilides as inhibitors of HIV reverse transcriptase ARDEA BIOSCIENCES, INC. (US) 2013-07-09 US disclosed
EP-2402011-B1 S-triazolyl alpha-mercaptoacetanilides as inhibitors of HIV reverse transcriptase ARDEA BIOSCIENCES INC (US) 2012-11-14 EP disclosed
US-20120283301-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES INC. (US) 2012-11-08 US disclosed
US-8252828-B2 S-triazolyl α-mercapto acetanilides as inhibitors of HIV reverse transcriptase ARDEA BIOSCIENCES, INC. (US) 2012-08-28 US disclosed
US-20100081827-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER ARDEA BIOSCIENCES, INC. (US) 2010-04-01 US disclosed
US-20100081827-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER ARDEA BIOSCIENCES, INC. (US) 2010-04-01 US 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
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
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-20120283301-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST HPGD 1365/4885KDR 3756/4885CA1 2506/4885
US-20150094284-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST HPGD 1365/4885KDR 3756/4885CA1 2506/4885
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 HPGD 2822/4885KDR 2465/4885CA1 3743/4885
US-20180002296-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST HPGD 1365/4885KDR 3756/4885CA1 2506/4885
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase SPR, POLR2H, QTRT1 HPGD 1370/4885KDR 3392/4885CA1 3222/4885
US-20100081827-A1 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID AND METHYL ESTER GRHPR, POLR2H, DECR1 HPGD 2771/4885KDR 2627/4885CA1 3646/4885

“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.