SCHEMBL3435495

SCHEMBL3435495

Nc1ccc(C(=O)NCC(O)CO)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
HPGD P15428 4/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK14 Q16539 1/20 0.44
HRH1 P35367 1/20 0.42
CCR3 P51677 1/20 0.42
KCNH2 Q12809 1/20 0.42
PRMT5 O14744 3/20 0.40
WDR77 Q9BQA1 1/20 0.40
ACSS2 Q9NR19 2/20 0.40
EPHX2 P34913 1/20 0.40
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
RORC P51449 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL878978 0.84 KDM4E (0.63) KDM4EHPGDALDH1A1POLBHTT
SCHEMBL13175547 0.80 HRH1 (0.53) KDM4EHPGDALDH1A1LMNAMAPK14
SCHEMBL11680022 0.79 HPGD (0.73) KDM4EHPGDALDH1A1POLBHTT
SCHEMBL3435735 0.79 KDM4E (0.57) KDM4EHPGDALDH1A1POLBHTT
SCHEMBL24227433 0.79 PRMT5 (0.57) KDM4EHPGDALDH1A1HTTLMNA
SCHEMBL12010060 0.78 KDM4E (0.59) KDM4EHPGDALDH1A1POLBHTT
SCHEMBL3111273 0.77 KDM4E (0.54) KDM4EHPGDALDH1A1POLBHTT
SCHEMBL21211563 0.77 GAA (0.64) KDM4EHPGDALDH1A1SMN1; SMN2PRMT5
SCHEMBL10029217 0.76 CA1 (0.61) KDM4EHPGDALDH1A1POLBHTT
SCHEMBL10081936 0.75 HPGD (0.59) KDM4EHPGDALDH1A1POLBHTT

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 29 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
US-20120283301-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES INC. (US) 2012-11-08 US 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-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-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 (7 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 KDM4E 3163/4885HPGD 1365/4885ALDH1A1 1407/4885
US-20150094284-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST KDM4E 3163/4885HPGD 1365/4885ALDH1A1 1407/4885
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 KDM4E 1577/4885HPGD 2822/4885ALDH1A1 1839/4885
US-20180002296-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST KDM4E 3163/4885HPGD 1365/4885ALDH1A1 1407/4885
US-20100267724-A2 S-TRIAZOLE ALPHA-MERCAPTOACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, QTRT1 KDM4E 3793/4885HPGD 1202/4885ALDH1A1 1135/4885
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase SPR, POLR2H, QTRT1 KDM4E 3227/4885HPGD 1370/4885ALDH1A1 1574/4885
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 KDM4E 1411/4885HPGD 2771/4885ALDH1A1 1632/4885

“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.