SCHEMBL2346802

SCHEMBL2346802

CCOC(=O)c1c(S(=O)(=O)NCCCCC(=O)OC(C)(C)C)c2cc(Br)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.39
NR1H2 P55055 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NOD2 Q9HC29 4/20 0.36
NOD1 Q9Y239 4/20 0.36
MAPT P10636 1/20 0.36
HTR6 P50406 1/20 0.35
TBXA2R P21731 1/20 0.34
FABP4 P15090 1/20 0.34
PKM P14618 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL2344542 0.89 ELANE (0.39) ELANENR1H2ALDH1A1TP53TSHR
SCHEMBL2350038 0.88 ELANE (0.43) ELANEALDH1A1TP53TSHRNOD2
SCHEMBL2342085 0.88 ELANE (0.40) ELANENR1H2ALDH1A1NOD2NOD1
Hydrochloric Acid SCHEMBL2346385 0.86 ELANE (0.42) ELANEALDH1A1TP53TSHRNOD2
SCHEMBL2346554 0.84 SMN1; SMN2 (0.44) ELANEALDH1A1TSHRNOD2NOD1
Hydrochloric Acid SCHEMBL2349568 0.84 ELANE (0.43) ELANEALDH1A1TSHRNOD2NOD1
SCHEMBL2346957 0.80 ELANE (0.40) ELANEALDH1A1TP53TSHRNOD2
SCHEMBL2349283 0.80 ELANE (0.43) ELANEALDH1A1NOD2NOD1MAPT
SCHEMBL2341805 0.80 NOD2 (0.43) ELANEALDH1A1NOD2NOD1MAPT
SCHEMBL2348931 0.80 NOD2 (0.51) ELANEALDH1A1NOD2NOD1MAPT

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 ELANE 4439/4885NR1H2 3143/4885ALDH1A1 2298/4885
US-20080008708-A1 Tyrosine kinase inhibitors ABL1, ERBB2, JAK2 ELANE 4439/4885NR1H2 3143/4885ALDH1A1 2298/4885
US-20100041652-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, JAK2 ELANE 4439/4885NR1H2 3143/4885ALDH1A1 2298/4885

“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.