SCHEMBL2344487

SCHEMBL2344487

NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)NCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 5/20 0.50
ALDH1A1 P00352 3/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
CNR1 P21554 5/20 0.49
PTGS2 P35354 1/20 0.48
KDM4E B2RXH2 1/20 0.45
POLB P06746 2/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43

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
SCHEMBL2341743 0.94 CNR1 (0.53) MAP2ALDH1A1TP53CNR1PTGS2
SCHEMBL2344495 0.87 MAP2 (0.54) MAP2ALDH1A1CNR1PTGS2KDM4E
SCHEMBL4936114 0.86 CNR1 (0.42) MAP2ALDH1A1TP53GAACNR1
SCHEMBL2345432 0.85 MAP2 (0.47) MAP2CNR1SIRT1
SCHEMBL2350039 0.85 ALDH1A1 (0.44) ALDH1A1GAAKDM4EPOLB
SCHEMBL2350058 0.84 SIRT1 (0.47) MAP2CNR1SIRT1
SCHEMBL2350074 0.84 MAP2 (0.50) MAP2ALDH1A1KDM4ESIRT1
SCHEMBL2344739 0.83 MAP2 (0.49) MAP2ALDH1A1CNR1KDM4ESIRT1
SCHEMBL2353600 0.82 CNR1 (0.52) MAP2ALDH1A1TP53CNR1KDM4E
SCHEMBL2344578 0.82 MAP2 (0.48) MAP2ALDH1A1KDM4ESIRT1

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 16 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-20100041652-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-02-18 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-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 (3 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-20060128783-A1 Tyrosine kinase inhibitors ABL1, ERBB2, JAK2 MAP2 721/4885ALDH1A1 2298/4885TP53 609/4885
US-20080008708-A1 Tyrosine kinase inhibitors ABL1, ERBB2, JAK2 MAP2 721/4885ALDH1A1 2298/4885TP53 609/4885
US-20100041652-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, JAK2 MAP2 721/4885ALDH1A1 2298/4885TP53 609/4885

“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.