SCHEMBL2344579

SCHEMBL2344579

NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)NC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.51
MAP2 P11137 7/20 0.47
SIRT1 Q96EB6 6/20 0.44
SIRT2 Q8IXJ6 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIRT3 Q9NTG7 2/20 0.42
ALDH1A1 P00352 1/20 0.42
JAK2 O60674 1/20 0.42
BRAF P15056 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
SCHEMBL2351037 0.99 PTGS2 (0.49) PTGS2MAP2SIRT1SIRT2TDP1
SCHEMBL2347102 0.97 MAP2 (0.48) PTGS2MAP2SIRT1SIRT2TDP1
SCHEMBL2346319 0.90 MAP2 (0.46) PTGS2MAP2SIRT1SIRT2MAPT
SCHEMBL2344047 0.89 MAP2 (0.48) PTGS2MAP2SIRT1SIRT2MAPT
SCHEMBL3602148 0.87 HTT (0.46) SIRT1TDP1MAPTALOX15MAPK1
SCHEMBL2351150 0.86 MAP2 (0.45) PTGS2MAP2SIRT1SIRT2MAPT
SCHEMBL3609243 0.85 HTT (0.44) SIRT1TDP1MAPTALOX15MAPK1
SCHEMBL14282084 0.85 MAP2 (0.44) PTGS2MAP2SIRT1MAPK1ALDH1A1
SCHEMBL2346920 0.85 MAP2 (0.45) PTGS2MAP2SIRT1SIRT2MAPT
SCHEMBL3616584 0.83 TDP1 (0.42) SIRT1TDP1MAPTMAPK1ALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008295-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-08-30 US claimed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US claimed
US-20100041652-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-02-18 US claimed
US-20080008708-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US claimed
US-20060128783-A1 Tyrosine kinase inhibitors DINSMORE CHRISTOPHER J 2006-06-15 US claimed
US-8008295-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-8008295-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-8008295-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US disclosed
US-20100041652-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-02-18 US disclosed
US-20100041652-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-02-18 US disclosed
US-20100041652-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-02-18 US disclosed
US-20080008708-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US disclosed
US-20080008708-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US disclosed
US-20080008708-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US disclosed
EP-1534268-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2006-11-02 EP disclosed
US-20060128783-A1 Tyrosine kinase inhibitors DINSMORE CHRISTOPHER J 2006-06-15 US disclosed
EP-1534268-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP disclosed
WO-2004014300-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 PTGS2 1715/4885MAP2 2470/4885SIRT1 745/4885
US-20060128783-A1 Tyrosine kinase inhibitors ABL1, ERBB2, JAK2 PTGS2 1578/4885MAP2 721/4885SIRT1 2730/4885
US-20080008708-A1 Tyrosine kinase inhibitors ABL1, ERBB2, JAK2 PTGS2 1578/4885MAP2 721/4885SIRT1 2730/4885
US-20100041652-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, JAK2 PTGS2 1578/4885MAP2 721/4885SIRT1 2730/4885

“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.