SCHEMBL2344679

SCHEMBL2344679

CCOC(=O)c1c(S(=O)(=O)Cl)c2cc(I)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 4/20 0.44
NOD1 Q9Y239 4/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.42
PTGDR Q13258 2/20 0.42
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AR P10275 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 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
SCHEMBL2345728 0.89 NOD2 (0.52) NOD2NOD1PTGDR2PTGDRMAPT
SCHEMBL2353192 0.88 PTGDR2 (0.57) NOD2NOD1PTGDR2PTGDRMAPT
SCHEMBL2345364 0.88 ELANE (0.48) NOD2NOD1PTGDR2PTGDRMAPT
SCHEMBL12392496 0.87 NOD2 (0.48) NOD2NOD1PTGDR2PTGDRMAPT
SCHEMBL2343252 0.87 HTR6 (0.50) NOD2NOD1PTGDR2PTGDRMAPT
SCHEMBL2925186 0.84 NOD2 (0.55) NOD2NOD1MAPTARRAB9A
Hydrochloric Acid SCHEMBL2341447 0.84 MAPT (0.40) NOD2NOD1PTGDR2PTGDRMAPT
SCHEMBL2351658 0.81 ALDH1A1 (0.43) NOD2NOD1PTGDR2PTGDRMAPT
SCHEMBL2346812 0.80 NOD2 (0.52) NOD2NOD1PTGDR2PTGDRKDM4E
SCHEMBL2005697 0.80 NOD2 (0.53) NOD2NOD1PTGDR2PTGDRKDM4E

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 15 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 disclosed
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP disclosed
US-20100041652-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-02-18 US disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 EP 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
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 US disclosed
EP-1534268-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP 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
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 (6 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 NOD2 2323/4885NOD1 1661/4885PTGDR2 1182/4885
US-20050261496-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 NOD2 2119/4885NOD1 1429/4885PTGDR2 1665/4885
US-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 NOD2 4073/4885NOD1 4255/4885PTGDR2 3108/4885
US-20080008708-A1 Tyrosine kinase inhibitors ABL1, ERBB2, JAK2 NOD2 2323/4885NOD1 1661/4885PTGDR2 1182/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 NOD2 2119/4885NOD1 1429/4885PTGDR2 1665/4885
US-20100041652-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, JAK2 NOD2 2323/4885NOD1 1661/4885PTGDR2 1182/4885

“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.