SCHEMBL2928734

SCHEMBL2928734

NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)N1CCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 14/20 0.51
PTGS2 P35354 2/20 0.44
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIRT1 Q96EB6 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40

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
SCHEMBL2927238 0.98 MAP2 (0.54) MAP2PTGS2ALDH1A1ALOX15TSHR
SCHEMBL2924539 0.96 MAP2 (0.53) MAP2PTGS2ALDH1A1ALOX15TSHR
SCHEMBL2923342 0.91 PTGS2 (0.49) MAP2PTGS2
SCHEMBL2927126 0.90 MAP2 (0.59) MAP2ALDH1A1
SCHEMBL2923480 0.90 MAP2 (0.48) MAP2PTGS2ALDH1A1SIRT1
SCHEMBL3611987 0.89 MAP2 (0.47) MAP2TSHRSIRT1SIRT2SIRT3
SCHEMBL2926071 0.89 MAP2 (0.47) MAP2PTGS2TSHRSIRT1
SCHEMBL2926068 0.89 MAP2 (0.47) MAP2PTGS2SIRT1
SCHEMBL3609940 0.88 MAP2 (0.51) MAP2PTGS2SIRT1
SCHEMBL2922761 0.88 MAP2 (0.46) MAP2PTGS2SIRT1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP claimed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US claimed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US claimed
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 EP claimed
EP-1899340-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-03-19 EP claimed
WO-2007002368-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 WO claimed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 US claimed
EP-1534695-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP claimed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US claimed
WO-2004014851-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 WO claimed
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP disclosed
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP disclosed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 EP disclosed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 US disclosed
EP-1534695-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP disclosed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US disclosed
WO-2004014851-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 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-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors IDO1, IDO2, INMT MAP2 2470/4885PTGS2 1715/4885ALDH1A1 882/4885
US-20050261496-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 MAP2 732/4885PTGS2 2169/4885ALDH1A1 2434/4885
US-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 MAP2 822/4885PTGS2 2116/4885ALDH1A1 4426/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 MAP2 732/4885PTGS2 2169/4885ALDH1A1 2434/4885

“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.