SCHEMBL645674

SCHEMBL645674

NC1CCC(=O)N2CCCC(C(=O)O)N2C1=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.56
MME P08473 3/20 0.48
CASP1 P29466 7/20 0.37
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.35
IL1B P01584 2/20 0.35
CA2 P00918 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7088511 1.00 ACE (0.56) ACEMMECASP1CYP3A4TSHR
SCHEMBL7088512 1.00 ACE (0.56) ACEMMECASP1CYP3A4TSHR
SCHEMBL7339985 1.00 ACE (0.56) ACEMMECASP1CYP3A4TSHR
Water SCHEMBL10565338 0.99 ACE (0.54) ACEMMECASP1CYP3A4TSHR
SCHEMBL7348554 0.91 ACE (0.46) ACEMMECASP1CYP3A4TSHR
SCHEMBL7348550 0.91 ACE (0.46) ACEMMECASP1CYP3A4TSHR
SCHEMBL10567698 0.91 ACE (0.46) ACEMMECASP1CYP3A4TSHR
SCHEMBL6627295 0.88 ACE (0.43) ACEMMECASP1CYP3A4TSHR
SCHEMBL14078890 0.87 ACE (0.42) ACEMMECASP1CYP3A4TSHR
SCHEMBL10567318 0.87 ACE (0.64) ACEMMECYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11698375-B2 Method for producing an examination reagent and kit for analysing a T-cell frequency CONSTRUCTOR UNIVERSITY BREMEN GGMBH (DE) 2023-07-11 US disclosed
US-20190331681-A1 METHOD FOR PRODUCING AN EXAMINATION REAGENT AND KIT FOR ANALYSING A T-CELL FREQUENCY JACOBS UNIVERSITY BREMEN GGMBH (DE) 2019-10-31 US disclosed
US-10386367-B2 Method for producing an examination reagent and kit for analysing a T-cell frequency JACOBS UNIVERSITY BREMEN GGMBH (DE) 2019-08-20 US disclosed
EP-2800974-B1 METHOD FOR PRODUCING AN EXAMINATION REAGENT AND KIT FOR ANALYSING A T-CELL FREQUENCY JACOBS UNIV BREMEN GMBH (DE) 2016-12-14 EP disclosed
US-20140370524-A1 METHOD FOR PRODUCING AN EXAMINATION REAGENT AND KIT FOR ANALYSING A T-CELL FREQUENCY JACOBS UNIVERSITY BREMEN GGMBH (DE) 2014-12-18 US disclosed
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-7772366-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-10 US disclosed
US-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 US disclosed
US-7288624-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-30 US disclosed
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2005-06-30 US disclosed
US-6548664-B1 Alkylation, hydrogenation, cyclization, condensation, deracemization AVENTIS PHARMA S.A. (FR) 2003-04-15 US disclosed
US-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2002-07-25 US disclosed
US-6423840-B1 FORMING N-ACYLAMINO COMPOUND VERTEX PHARMACEUTICALS INCORPORATED 2002-07-23 US disclosed
US-6008217-A AN ENZYME INHIBITOR AGAINST INTERLEUKIN-1B, FOR TREATING APOPTOSIS-MEDIATED DISEASES, INCLUDING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, PROLIFERATIVE DISORDERS, INFECTIOUS DISEASES, AND DEGENERATIVE DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-28 US disclosed
EP-0869967-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-10-14 EP disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 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 (5 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 ACE 6/4885MME 97/4885CASP1 5/4885
US-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1RN ACE 5/4885MME 90/4885CASP1 6/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B ACE 16/4885MME 279/4885CASP1 6/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 ACE 19/4885MME 327/4885CASP1 5/4885
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 ACE 20/4885MME 314/4885CASP1 5/4885

“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.