SCHEMBL950205

SCHEMBL950205

CC(C(=O)O)n1c(-c2ccccc2)ccc(N)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP5 P45974 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS2 P35354 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NQO2 P16083 1/20 0.35
GLO1 Q04760 2/20 0.35
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
IKBKB O14920 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 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
SCHEMBL8402040 0.78 KDM4E (0.38) KDM4EALDH1A1USP5KMT2A
SCHEMBL948599 0.78 ALDH1A1 (0.41) ELANEKDM4EALDH1A1HSD17B10USP5
SCHEMBL949360 0.75 CASP1 (0.41) KDM4EHSD17B10USP5KMT2AMAPT
SCHEMBL949330 0.74 IDH1 (0.39) KDM4EALDH1A1ALOX15HSD17B10USP5
SCHEMBL4496457 0.72 KDM4E (0.52) KDM4EALDH1A1ALOX15HSD17B10KMT2A
SCHEMBL6287877 0.72 HTR4 (0.41) KDM4EUSP5KMT2AGAA
SCHEMBL950078 0.71 CASP1 (0.54) ELANEKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL951482 0.70 GABRP (0.34) KDM4EALDH1A1ALOX15HSD17B10MAPT
SCHEMBL4452759 0.69 ALDH1A1 (0.59) ELANEKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL949093 0.68 PTGS2 (0.46) ELANEKDM4EALDH1A1USP5KMT2A

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 8 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
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
US-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2002-07-25 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

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 140/4885KDM4E 3226/4885ALDH1A1 269/4885
US-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1RN ELANE 135/4885KDM4E 3334/4885ALDH1A1 279/4885
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 ELANE 140/4885KDM4E 3226/4885ALDH1A1 269/4885
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 ELANE 140/4885KDM4E 3226/4885ALDH1A1 269/4885

“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.