SCHEMBL952143

SCHEMBL952143

COC(=O)C(C)n1cccc(N)c1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CFTR P13569 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGS2 P35354 1/20 0.37
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP26A1 O43174 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL27546454 1.00 ELANE (0.39) ELANEALDH1A1CFTRHSD17B10POLB
SCHEMBL14423555 0.85 CYP1A2 (0.44) ELANEALDH1A1HSD17B10POLBNPSR1
SCHEMBL14423544 0.84 ELANE (0.39) ELANEPTGS2MAPTKMT2A
SCHEMBL949093 0.82 PTGS2 (0.46) ELANEALDH1A1PTGS2KDM4EMAPT
SCHEMBL13243849 0.81 PARP1 (0.45) ELANEALDH1A1HSD17B10POLBNPSR1
SCHEMBL24929758 0.81 ELANE (0.38) ELANEALDH1A1HSD17B10TP53MAPT
SCHEMBL38659645 0.81 POLB (0.37) ALDH1A1POLBNPSR1PTGS2HPGD
SCHEMBL15803906 0.76 PTGS2 (0.38) ELANEALDH1A1PTGS2KDM4EMAPT
SCHEMBL27492187 0.75 PTGS2 (0.37) ELANEALDH1A1CFTRHSD17B10PTGS2
SCHEMBL26623269 0.74 CASP1 (0.43) ELANEALDH1A1NPSR1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-20 US disclosed
US-7772366-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-10 US disclosed
EP-2123665-A2 Inhibitors of interleukin-1Beta converting enzyme Vertex Pharmaceuticals Incorporated (US) 2009-11-25 EP disclosed
US-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-7288624-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-30 US disclosed
EP-1394175-A1 Inhibitors of interleukin-1beta converting enzyme Vertex Pharmaceuticals Incorporated (US) 2004-03-03 EP disclosed
US-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2002-07-25 US disclosed
US-6420522-B1 ENZYME INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2002-07-16 US disclosed
US-6103711-A INTERLEUKIN-1 MEDIATED DISEASES; ANTIINFLAMMATORY AND -CARCINOGENIC AGENTS; AUTOIMMUNE AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INCORPORATED (US) 2000-08-15 US disclosed
US-5973111-A NOVEL COMPOUNDS THAT ARE CAPABLE OF BINDING TO THE ACTIVE SITE OF INTERLEUKIN-1B-CONVERTING ENZYME (ICE) AND INHIBITING ACTIVITY OF THAT ENZYME; ADMINISTERING TO TREAT INFLAMMATORY, AUTOIMMUNE, AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1999-10-26 US disclosed
US-5656627-A USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1997-08-12 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 (4 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-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 ELANE 140/4885ALDH1A1 269/4885CFTR 1934/4885
US-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1RN ELANE 135/4885ALDH1A1 279/4885CFTR 1903/4885
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 ELANE 140/4885ALDH1A1 269/4885CFTR 1934/4885
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 ELANE 140/4885ALDH1A1 269/4885CFTR 1934/4885

“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.