SCHEMBL2346554

SCHEMBL2346554

CCOC(=O)c1c(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Br)cc2)c2cc(Br)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44
ELANE P08246 1/20 0.43
NHERF1 O14745 1/20 0.43
NOD2 Q9HC29 4/20 0.43
NOD1 Q9Y239 4/20 0.43
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HIF1A Q16665 1/20 0.39
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
USP2 O75604 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
SCHEMBL2350038 0.95 ELANE (0.43) SMN1; SMN2MAPTELANENHERF1NOD2
SCHEMBL2348931 0.93 NOD2 (0.51) SMN1; SMN2MAPTELANENOD2NOD1
Hydrochloric Acid SCHEMBL2349568 0.90 ELANE (0.43) SMN1; SMN2MAPTELANENHERF1NOD2
SCHEMBL2349283 0.90 ELANE (0.43) SMN1; SMN2MAPTELANENOD2NOD1
Hydrochloric Acid SCHEMBL2346385 0.89 ELANE (0.42) SMN1; SMN2MAPTELANENHERF1NOD2
SCHEMBL2346957 0.88 ELANE (0.40) MAPTELANENOD2NOD1LMNA
SCHEMBL2342085 0.88 ELANE (0.40) MAPTELANENOD2NOD1LMNA
SCHEMBL2345719 0.87 PTGDR (0.41) SMN1; SMN2MAPTELANENHERF1NOD2
SCHEMBL2348486 0.86 USP2 (0.43) SMN1; SMN2ELANEPTGDRPTGDR2USP2
SCHEMBL2351720 0.85 HTR6 (0.42) SMN1; SMN2MAPTELANELMNAALDH1A1

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 7 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
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
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 SMN1; SMN2 4633/4885MAPT 2487/4885ELANE 4439/4885
US-20080008708-A1 Tyrosine kinase inhibitors ABL1, ERBB2, JAK2 SMN1; SMN2 4633/4885MAPT 2487/4885ELANE 4439/4885
US-20100041652-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, JAK2 SMN1; SMN2 4633/4885MAPT 2487/4885ELANE 4439/4885

“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.