SCHEMBL487112

SCHEMBL487112

CC(C)(C)OC(=O)Nc1cccc2ccc(OS(C)(=O)=O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.44
PLAU P00749 1/20 0.44
NQO2 P16083 1/20 0.43
KAT6A Q92794 1/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
MAPK14 Q16539 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MTNR1A P48039 1/20 0.38

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
SCHEMBL24149842 0.88 TRPV1 (0.46) TRPV1PLAUNQO2KAT6AALDH1A1
SCHEMBL14433303 0.85 TRPV1 (0.53) TRPV1PLAUALDH1A1HPGDKMT2A
SCHEMBL10062583 0.82 ALDH1A1 (0.39) KAT6AALDH1A1HPGDCA12CA1
SCHEMBL1963401 0.82 MTNR1A (0.50) TRPV1PLAUNQO2ALDH1A1HPGD
SCHEMBL7247143 0.81 ALDH1A1 (0.46) TRPV1PLAUALDH1A1CA12CA1
SCHEMBL486679 0.80 ALDH1A1 (0.39) ALDH1A1HPGDCA12CA1CA2
SCHEMBL7709234 0.80 TRPV1 (0.44) TRPV1PLAUNQO2KAT6AALDH1A1
SCHEMBL7709280 0.80 ALDH1A1 (0.39) NQO2KAT6AALDH1A1CA12CA1
SCHEMBL14134840 0.80 MTNR1A (0.51) TRPV1PLAUALDH1A1HPGDKMT2A
SCHEMBL31680675 0.80 TRPV1 (0.64) TRPV1NQO2KMT2ARAB9AMEN1

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 60 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
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
US-20040259875-A1 Amine derivatives BAYER HEALTHCARE AG (DE) 2004-12-23 US disclosed
EP-1414788-A1 NAPHTHYLUREA AND NAPHTHYLACETAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS Bayer HealthCare AG (DE) 2004-05-06 EP disclosed
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed
WO-2003014064-A1 NAPHTHYLUREA AND NAPHTHYLACETAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-02-20 WO disclosed
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 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 TRPV1 4350/4885PLAU 4625/4885NQO2 17/4885
US-20060270725-A1 N[S(4-aryl-triazol-3-yl)alpha-mercaptoacetyl]-p-amino benzoic acids as HIV reverse transcriptase inhibitors NQO2, NAT1, QPCT TRPV1 4645/4885PLAU 4419/4885NQO2 1/4885
US-20040259875-A1 Amine derivatives AVPR1A, GRIN1, OPRL1 TRPV1 14/4885PLAU 2785/4885NQO2 503/4885
US-20180002296-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST TRPV1 4350/4885PLAU 4625/4885NQO2 17/4885

“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.