SCHEMBL5799768

SCHEMBL5799768

COc1c(NC(=O)c2ccc(C)c(-n3cc(C(=O)N[C@H](C)c4ccccc4)nn3)c2)cc(C(C(F)(F)F)C(F)(F)F)cc1NS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BRAF P15056 10/20 0.37
GPR142 Q7Z601 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CDK9 P50750 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
GLS O94925 1/20 0.35

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
SCHEMBL13757173 0.91 BRAF (0.46) BRAF
SCHEMBL13757136 0.91 BRAF (0.46) BRAF
SCHEMBL4503590 0.90 BRAF (0.40) BRAFGPR142
SCHEMBL5779375 0.90 BRAF (0.36) ALDH1A1KDM4EHPGDHSD17B10BRAF
SCHEMBL13757175 0.90 GPR142 (0.37) ALDH1A1BRAFGPR142MEN1KMT2A
SCHEMBL4480318 0.86 BRAF (0.39) ALDH1A1HPGDBRAFGPR142
SCHEMBL5799976 0.84 MAPK14 (0.45) ALDH1A1KDM4EHPGDHSD17B10BRAF
SCHEMBL13757133 0.82 BRAF (0.45) BRAF
SCHEMBL13757172 0.82 BRAF (0.45) BRAF
SCHEMBL13757131 0.82 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10BRAF

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-7569568-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-7569568-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-20070032492-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-08 US disclosed
US-20070032492-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-08 US disclosed
US-7166628-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-01-23 US disclosed
US-7166628-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-01-23 US disclosed
EP-1567507-B1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-06-14 EP 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 (1 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-20070032492-A1 Cytokine Inhibitors IL1B, IL1A, IL1RN ALDH1A1 281/4885KDM4E 4075/4885HPGD 497/4885

“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.