SCHEMBL249088

SCHEMBL249088

Cc1cc(S(N)(=O)=O)ccc1NC(=O)CCl

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
HTT P42858 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
CA1 P00915 15/20 0.56
CA2 P00918 15/20 0.56
MAPT P10636 1/20 0.52
CA9 Q16790 4/20 0.52
POLB P06746 1/20 0.51
S1PR1 P21453 2/20 0.51
CA12 O43570 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA5B Q9Y2D0 1/20 0.50

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
SCHEMBL247263 0.87 CA1 (0.60) ALDH1A1HTTCA1CA2MAPT
SCHEMBL14419572 0.85 CA1 (0.56) HTTCA1CA2CA9POLB
SCHEMBL14419567 0.85 CA1 (0.57) HTTCA1CA2CA9POLB
SCHEMBL248505 0.84 CA1 (0.78) CA1CA2CA9CA12CA5A
SCHEMBL2639424 0.81 CA1 (0.71) ALDH1A1HTTCA1CA2CA9
SCHEMBL10682779 0.78 ALDH1A1 (0.71) ALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL29643255 0.78 SMN1; SMN2 (1.00) ALDH1A1HTTSMN1; SMN2
SCHEMBL4228749 0.78 SMN1; SMN2 (1.00) ALDH1A1HTTSMN1; SMN2
SCHEMBL22196908 0.77 ALDH1A1 (0.50) ALDH1A1HTTCA1CA2MAPT
SCHEMBL16176772 0.77 CA2 (0.59) HTTCA1CA2CA9POLB

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 42 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-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-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-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
EP-2353593-B1 Non-nucleoside reverse transcriptase inhibitors ARDEA BIOSCIENCES INC (US) 2012-08-22 EP disclosed
CN-101083987-A S-triazolyl alpha-mercaptoacetanilides as HIV reverse transcriptase inhibitors ARDEA BIOSCIENCES INC (US) 2007-12-05 CN disclosed
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 US disclosed
EP-1831157-A2 NONNUCLEOSIDE INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE Pfizer Limited (GB) 2007-09-12 EP disclosed
EP-1789039-A2 S-TRIAZOLYL ALPHA -MERCAPTOACETANILDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE Ardea Biosciences, Inc. (US) 2007-05-30 EP disclosed
WO-2006067587-A2 NONNUCLEOSIDE INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE PFIZER LIMITED (GB) 2006-06-29 WO disclosed
US-20060135556-A1 Non-nucleoside reverse transcriptase inhibitors INTRABIOTICS PHARMACEUTICALS, INC. 2006-06-22 US disclosed
WO-2006026356-A2 S-TRIAZOLYL α-MERCAPTOACETANILDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE ARDEA BIOSCIENCES, INC. (US) 2006-03-09 WO disclosed
CN-1697650-A Non-nucleoside reverse transcriptase inhibitors RIBAPHARM INC (US) 2005-11-16 CN disclosed
EP-1545483-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Ribapharm Inc. (US) 2005-06-29 EP disclosed
WO-2004030611-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RIBAPHARM INC. (US) 2004-04-15 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-20120283301-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST ALDH1A1 1407/4885HTT 3263/4885SMN1; SMN2 2651/4885
US-20150094284-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST ALDH1A1 1407/4885HTT 3263/4885SMN1; SMN2 2651/4885
US-20060135556-A1 Non-nucleoside reverse transcriptase inhibitors POLRMT, TYMP, RNGTT ALDH1A1 271/4885HTT 2326/4885SMN1; SMN2 1681/4885
US-20180002296-A1 S-TRIAZOLYL ALPHA-MERCAPTO ACETANILIDES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE SPR, POLR2H, TST ALDH1A1 1407/4885HTT 3263/4885SMN1; SMN2 2651/4885

“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.