SCHEMBL951060

SCHEMBL951060

O=C(CCc1ccccc1)Nc1c(C(=O)O)nc2n(c1=O)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.49
BCHE P06276 3/20 0.49
APP P05067 2/20 0.48
BACE1 P56817 1/20 0.48
MAPT P10636 4/20 0.45
TP53 P04637 2/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CFTR P13569 1/20 0.43
ALOX15 P16050 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GOPC Q9HD26 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL949670 0.82 CASP1 (0.49) ACHEBCHEAPPBACE1MAPT
SCHEMBL950026 0.76 MAPT (0.48) ACHEBCHEAPPMAPTSMN1; SMN2
SCHEMBL950037 0.76 ACHE (0.37) ACHEBCHEAPPBACE1MAPT
SCHEMBL951513 0.74 CASP3 (0.41) ACHEBCHEAPPBACE1MAPT
SCHEMBL31394625 0.73 ACHE (0.50) ACHEBCHEAPPBACE1MAPT
SCHEMBL31393959 0.70 KMT2A (0.50) ACHEBCHEMAPTTP53SMN1; SMN2
SCHEMBL31394514 0.67 LMNA (0.47) ACHEBCHEMAPTTP53TSHR
SCHEMBL13824168 0.65 HSD17B10 (0.56) ACHEBCHEAPPMAPTTP53
SCHEMBL10480817 0.65 MAPT (0.59) MAPTSMN1; SMN2ALDH1A1TDP1GAA
SCHEMBL1750917 0.65 TP53 (0.48) ACHEBCHEMAPTTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-5847135-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-12-08 US disclosed
US-5716929-A THERAPY FOR INFLAMMATION, AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS, INC. (US) 1998-02-10 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-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 ACHE 155/4885BCHE 261/4885APP 42/4885
US-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1RN ACHE 154/4885BCHE 260/4885APP 50/4885
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 ACHE 155/4885BCHE 261/4885APP 42/4885

“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.