SCHEMBL249359

SCHEMBL249359

Nc1nnc(SCC(=O)Nc2ccc(C(=O)O)cc2Cl)n1-c1ccc(C2CC2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 12/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
SLC22A11 Q9NSA0 1/20 0.51
SLC2A9 Q9NRM0 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
IL15 P40933 1/20 0.41
IL2 P60568 1/20 0.41
IL15RA Q13261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL248221 0.91 SLC22A12 (0.65) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL10029197 0.91 SLC22A12 (0.51) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL29376753 0.91 SLC22A12 (0.65) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
Potassium SCHEMBL30892115 0.90 SLC22A12 (0.64) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL14921536 0.90 SLC22A12 (0.64) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL487263 0.89 ALDH1A1 (0.43) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL10029198 0.88 SLC22A12 (0.49) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL247372 0.88 SLC22A12 (0.54) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL248724 0.85 SLC22A12 (0.62) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4
Potassium Ion SCHEMBL14921535 0.83 SLC22A12 (0.61) SLC22A12CYP2C9CYP2C19CYP1A2CYP3A4

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 76 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-8552043-B2 N[S(4-aryl-triazol-3-yl)α-mercaptoacetyl]-p-amino benzoic acids as HIV reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-10-08 US disclosed
US-8552043-B2 N[S(4-aryl-triazol-3-yl)α-mercaptoacetyl]-p-amino benzoic acids as HIV reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-10-08 US disclosed
US-8552043-B2 N[S(4-aryl-triazol-3-yl)α-mercaptoacetyl]-p-amino benzoic acids as HIV reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-10-08 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-7435752-B2 N[S(4-aryl-triazol-3-yl)α-mercaptoacetyl]-p-amino benozioc acids as HIV reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2008-10-14 US disclosed
US-7435752-B2 N[S(4-aryl-triazol-3-yl)α-mercaptoacetyl]-p-amino benozioc acids as HIV reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2008-10-14 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
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-2007050087-A1 N[S(4-aryl-triazol-3-yl)α -mercaptoacetyl]-p-amino benozoic acids AS HIV REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2007-05-03 WO disclosed
WO-2007050087-A1 N[S(4-aryl-triazol-3-yl)α -mercaptoacetyl]-p-amino benozoic acids AS HIV REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2007-05-03 WO disclosed
US-20060270725-A1 N[S(4-aryl-triazol-3-yl)alpha-mercaptoacetyl]-p-amino benzoic acids as HIV reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. 2006-11-30 US 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 (4 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 SLC22A12 1639/4885CYP2C9 493/4885CYP2C19 847/4885
US-20060270725-A1 N[S(4-aryl-triazol-3-yl)alpha-mercaptoacetyl]-p-amino benzoic acids as HIV reverse transcriptase inhibitors NQO2, NAT1, QPCT SLC22A12 1704/4885CYP2C9 1434/4885CYP2C19 1933/4885
US-20180002296-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST SLC22A12 1639/4885CYP2C9 493/4885CYP2C19 847/4885
US-20080176850-A1 S-Triazolyl Alpha-Mercaptoacetanilides as Inhibitors of Hiv Reverse Transcriptase SPR, POLR2H, QTRT1 SLC22A12 1536/4885CYP2C9 381/4885CYP2C19 660/4885

“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.