SCHEMBL17533972

SCHEMBL17533972

CC(C)(C)N(C(=O)O)C(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
MMP2 P08253 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HSD11B1 P28845 5/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
NPC1 O15118 1/20 0.35
CNR1 P21554 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
SCHEMBL17533956 0.83 TAS2R14 (0.44) MMP2KEAP1NFE2L2KMT2AMEN1
SCHEMBL16243710 0.77 LMNA (0.42) SMN1; SMN2KMT2AMEN1CNR1
SCHEMBL381808 0.76 ACP3 (0.43) MMP2SMN1; SMN2HSD11B1KMT2AMEN1
SCHEMBL19244871 0.76 MMP1 (0.37) MMP2HSD11B1KMT2AMEN1
SCHEMBL382440 0.74 HSD11B1 (0.38) MMP2HSD11B1KMT2AMEN1
SCHEMBL2576026 0.73 ALOX5 (0.51) SMN1; SMN2HSD11B1KMT2AMEN1
SCHEMBL1270470 0.73 ALOX5 (0.51) SMN1; SMN2HSD11B1KMT2AMEN1
SCHEMBL2197076 0.73 ALOX5 (0.51) SMN1; SMN2HSD11B1KMT2AMEN1
SCHEMBL382615 0.73 MEN1 (0.38) MMP2HSD11B1KMT2AMEN1CNR1
SCHEMBL18245431 0.73 TAS2R14 (0.37) SMN1; SMN2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670166-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-06 US disclosed
US-20160340319-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-11-24 US disclosed
US-9290459-B1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-22 US disclosed
US-20160060231-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-03-03 US disclosed
US-20160060230-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2016-03-03 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 (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-20160060230-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO CA12 1300/4885MMP2 44/4885CA14 841/4885
US-20160340319-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO CA12 1300/4885MMP2 44/4885CA14 841/4885
US-20160060231-A1 SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, MPO CA12 1300/4885MMP2 44/4885CA14 841/4885

“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.