SCHEMBL15912975

SCHEMBL15912975

O=C(O)N(CS(=O)(=O)c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.50
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
PLCG1 P19174 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 3/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
PSIP1 O75475 1/20 0.39

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
SCHEMBL15913195 0.81 MAPT (0.54) HSD11B1POLBKEAP1NFE2L2
SCHEMBL4260407 0.78 MCHR1 (0.59) HSD11B1ALDH1A1LMNAKEAP1NFE2L2
SCHEMBL5907003 0.75 ALDH1A1 (0.54) ALDH1A1LMNATSHRHTT
SCHEMBL5218475 0.71 TP53 (0.43) ALDH1A1POLBCTDSP1TSHRL3MBTL1
SCHEMBL250872 0.71 ALDH1A1 (0.52) ALDH1A1LMNAPOLBCTDSP1TSHR
SCHEMBL11221787 0.70 EGFR (0.53) EGFRERBB2ALDH1A1KDM4ETSHR
SCHEMBL6278347 0.69 HSD11B1 (0.71) HSD11B1ALDH1A1KDM4ETSHRL3MBTL1
SCHEMBL4260411 0.69 KMT2A (0.42) ALDH1A1POLBKEAP1NFE2L2TSHR
SCHEMBL10187754 0.68 KMT2A (0.37) ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL4822461 0.68 TSPO (0.62) ALDH1A1LMNAHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953943-B1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2017-04-12 EP disclosed
EP-2953943-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY Boehringer Ingelheim International GmbH (DE) 2015-12-16 EP disclosed
WO-2014122160-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-14 WO disclosed
US-20140221335-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-07 US 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-20140221335-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO HSD11B1 751/4885EGFR 1576/4885ERBB2 3104/4885

“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.