SCHEMBL879197

SCHEMBL879197

COCCNC(=O)c1ccc(N)c(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.76
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
TNKS2 Q9H2K2 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48

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
SCHEMBL10079549 0.85 SMN1; SMN2 (0.56) HPGDALDH1A1LMNASMN1; SMN2POLB
SCHEMBL11680022 0.83 HPGD (0.73) HPGDALDH1A1LMNASMN1; SMN2POLB
SCHEMBL3435778 0.82 SMN1; SMN2 (0.60) HPGDALDH1A1LMNASMN1; SMN2POLB
SCHEMBL12011604 0.82 HPGD (0.58) HPGDALDH1A1SMN1; SMN2TP53HTT
SCHEMBL10029339 0.82 KDM4E (0.51) HPGDALDH1A1LMNASMN1; SMN2POLB
SCHEMBL7265678 0.82 HPGD (0.51) HPGDALDH1A1LMNASMN1; SMN2POLB
SCHEMBL3033838 0.82 TP53 (0.67) HPGDALDH1A1SMN1; SMN2TP53POLB
SCHEMBL3111273 0.81 KDM4E (0.54) HPGDALDH1A1LMNASMN1; SMN2POLB
SCHEMBL3435195 0.81 LMNA (0.52) HPGDALDH1A1LMNASMN1; SMN2POLB
SCHEMBL5925601 0.81 L3MBTL1 (0.56) HPGDALDH1A1LMNASMN1; SMN2POLB

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 21 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 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
EP-2609917-A1 Triazolyl alpha -mercaptoacetanilides as inhibitors of HIV reverse transcriptase Ardea Biosciences, Inc. (US) 2013-07-03 EP disclosed
EP-2433633-A1 Triazolyl alpha -mercaptoacetanildes as inhibitors of HIV reverse transcriptase Ardea Biosciences, Inc. (US) 2012-03-28 EP disclosed
EP-2402011-A1 Intermediates in the synthesis of S-triazolyl alpha-mercaptoacetanildes as inhibitors of HIV reverse transcriptase Ardea Biosciences, Inc. (US) 2012-01-04 EP disclosed
EP-2135608-B1 S-triazolyl alpha -mercaptoacetanilides as inhibitors of HIV reverse transcriptase ARDEA BIOSCIENCES INC (US) 2011-10-12 EP disclosed
US-8003681-B2 2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid and methyl ester ARDEA BIOSCIENCES, INC. (US) 2011-08-23 US disclosed
US-8003681-B2 2-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)acetic acid and methyl ester ARDEA BIOSCIENCES, INC. (US) 2011-08-23 US disclosed
US-20110190491-A1 S-TRIAZOLE ALPHA- MERCAPTOACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. (US) 2011-08-04 US disclosed
US-7947721-B2 able to inhibit various mutated RTs, including K103N, Y181C and Y188L Ardes Biosciences Inc. (US) 2011-05-24 US disclosed
US-7947721-B2 able to inhibit various mutated RTs, including K103N, Y181C and Y188L Ardes Biosciences Inc. (US) 2011-05-24 US disclosed
US-20100267724-A2 S-TRIAZOLE ALPHA-MERCAPTOACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. (US) 2010-10-21 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
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

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 HPGD 1365/4885ALDH1A1 1407/4885LMNA 4749/4885
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 2822/4885ALDH1A1 1839/4885LMNA 4176/4885
US-20110190491-A1 S-TRIAZOLE ALPHA- MERCAPTOACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, QTRT1 HPGD 1202/4885ALDH1A1 1135/4885LMNA 4693/4885
US-20100267724-A2 S-TRIAZOLE ALPHA-MERCAPTOACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, QTRT1 HPGD 1202/4885ALDH1A1 1135/4885LMNA 4693/4885
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase SPR, POLR2H, QTRT1 HPGD 1370/4885ALDH1A1 1574/4885LMNA 4686/4885
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 2771/4885ALDH1A1 1632/4885LMNA 4281/4885

“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.