SCHEMBL2348931

SCHEMBL2348931

CCOC(=O)c1c(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 4/20 0.51
NOD1 Q9Y239 4/20 0.51
AR P10275 1/20 0.48
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ELANE P08246 2/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HIF1A Q16665 1/20 0.39
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 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
SCHEMBL2346554 0.93 SMN1; SMN2 (0.44) NOD2NOD1ALDH1A1ELANEPKM
SCHEMBL2350038 0.89 ELANE (0.43) NOD2NOD1ALDH1A1KMT2AELANE
Hydrochloric Acid SCHEMBL2349568 0.85 ELANE (0.43) NOD2NOD1ALDH1A1ELANEMAPT
SCHEMBL2349283 0.85 ELANE (0.43) NOD2NOD1ALDH1A1ELANEPKM
Hydrochloric Acid SCHEMBL2346385 0.84 ELANE (0.42) NOD2NOD1ALDH1A1ELANEMAPT
SCHEMBL2346957 0.83 ELANE (0.40) NOD2NOD1ALDH1A1ELANEPKM
SCHEMBL2342085 0.82 ELANE (0.40) NOD2NOD1ALDH1A1ELANEMAPT
SCHEMBL2345719 0.82 PTGDR (0.41) NOD2NOD1ALDH1A1MEN1KMT2A
SCHEMBL2348486 0.81 USP2 (0.43) ELANESMN1; SMN2RAB9A
SCHEMBL2351720 0.81 HTR6 (0.42) ALDH1A1MEN1KMT2AELANEMAPT

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 NOD2 2323/4885NOD1 1661/4885AR 756/4885
US-20080008708-A1 Tyrosine kinase inhibitors ABL1, ERBB2, JAK2 NOD2 2323/4885NOD1 1661/4885AR 756/4885
US-20100041652-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, JAK2 NOD2 2323/4885NOD1 1661/4885AR 756/4885

“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.