Sugi Predict

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SCHEMBL644877

SCHEMBL644877

CC=C(C(=O)Oc1ccc(OC)cc1C(C)(C)C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ LPAR1 Q92633 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ RARA P10276 2/20 0.39
▸ RARB P10826 2/20 0.39
▸ RARG P13631 2/20 0.39
▸ JUN P05412 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ TNFRSF1A P19438 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL6768191 0.81 ALDH1A1 (0.52) ALDH1A1GAALPAR1CA1CA2
SCHEMBL25307457 0.81 ALDH1A1 (0.55) ALDH1A1GAALPAR1CA1CA2
SCHEMBL13688321 0.79 ALDH1A1 (0.54) ALDH1A1GAALPAR1CA1CA2
SCHEMBL25261611 0.78 ALDH1A1 (0.52) ALDH1A1GAALPAR1CA1CA2
SCHEMBL4224766 0.77 ALDH1A1 (0.49) ALDH1A1GAALPAR1CA1CA2
SCHEMBL20548878 0.77 ALDH1A1 (0.51) ALDH1A1GAALPAR1CA1CA2
SCHEMBL20548872 0.77 KMT2A (0.56) ALDH1A1GAACA1CA2RARA
SCHEMBL20548732 0.75 GAA (0.50) ALDH1A1GAALPAR1CA1CA2
SCHEMBL20548757 0.74 GAA (0.49) ALDH1A1GAALPAR1CA1CA2
SCHEMBL20657880 0.74 ALDH1A1 (0.49) ALDH1A1GAALPAR1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 — — US disclosed
EP-2295442-A2 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-16 — — EP disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 — — US disclosed
EP-2083014-A2 Inhibitors of interleukin-1ß converting enzyme Vertex Pharmceuticals Incorporated (US) 2009-07-29 — — EP disclosed
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 — — US disclosed
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2005-06-30 — — US disclosed
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2003-12-04 — — US disclosed
US-6423840-B1 FORMING N-ACYLAMINO COMPOUND VERTEX PHARMACEUTICALS INCORPORATED 2002-07-23 — — US disclosed
US-6258948-B1 AN N-ACYLAMINO COMPOUND; ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS, INCORPORATED 2001-07-10 — — US disclosed
US-6204261-B1 Inhibitors of interleukin-1β Converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2001-03-20 — — 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
US-5874424-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-02-23 — — 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B ALDH1A1 422/4885GAA 121/4885LPAR1 4290/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B ALDH1A1 422/4885GAA 121/4885LPAR1 4290/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 ALDH1A1 440/4885GAA 136/4885LPAR1 4207/4885
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 ALDH1A1 458/4885GAA 137/4885LPAR1 4278/4885
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, APAF1, IL1B ALDH1A1 517/4885GAA 153/4885LPAR1 4332/4885

“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.