SCHEMBL4452393

SCHEMBL4452393

Nc1cc(CCc2ccccc2)n(CC(=O)O)c(=O)c1C(=O)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
FFAR1 O14842 1/20 0.41
KEAP1 Q14145 1/20 0.40
CASP1 P29466 1/20 0.39
ADORA2A P29274 3/20 0.38
ALDH1A1 P00352 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
APEX1 P27695 1/20 0.36
IDH1 O75874 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4457113 0.85 TDP1 (0.42) GAAMAPTSLC5A1SLC5A2FFAR1
SCHEMBL4456640 0.78 ALDH1A1 (0.44) FFAR1KEAP1CASP1ALDH1A1RAB9A
SCHEMBL27476202 0.72 GAA (0.40) GAAMAPTSLC5A1SLC5A2ADORA2A
SCHEMBL27473868 0.72 GAA (0.40) GAAMAPTSLC5A1SLC5A2CASP1
SCHEMBL27491665 0.70 GAA (0.38) GAAMAPTSLC5A1SLC5A2ALDH1A1
SCHEMBL950528 0.69 CASP1 (0.70) GAAMAPTCASP1ALDH1A1RAB9A
SCHEMBL2801401 0.68 APEX1 (0.44) CASP1ALDH1A1APEX1IDH1KDM4E
Benzene SCHEMBL8401598 0.68 GAA (0.40) GAAMAPTSLC5A1SLC5A2FFAR1
SCHEMBL7376688 0.66 F2 (0.42) MAPTALDH1A1SMN1; SMN2APEX1KDM4E
SCHEMBL8643435 0.65 KDM4E (0.50) GAAMAPTCASP1ALDH1A1RAB9A

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
EP-2123665-A2 Inhibitors of interleukin-1Beta converting enzyme Vertex Pharmaceuticals Incorporated (US) 2009-11-25 EP 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-6103711-A INTERLEUKIN-1 MEDIATED DISEASES; ANTIINFLAMMATORY AND -CARCINOGENIC AGENTS; AUTOIMMUNE AND NEURODEGENERATIVE DISEASES VERTEX PHARMACEUTICALS, INCORPORATED (US) 2000-08-15 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 (1 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-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1RN GAA 271/4885MAPT 119/4885SLC5A1 1966/4885

“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.