SCHEMBL949983

SCHEMBL949983

CC(C)(C)OC(=O)N1CC(OCc2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.52
AGTR2 P50052 6/20 0.52
KLK7 P49862 1/20 0.48
MCL1 Q07820 5/20 0.45
UCHL1 P09936 1/20 0.44
BDKRB2 P30411 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 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
SCHEMBL376159 1.00 ABCB1 (0.52) ABCB1AGTR2KLK7MCL1UCHL1
SCHEMBL3179881 1.00 ABCB1 (0.52) ABCB1AGTR2KLK7MCL1UCHL1
SCHEMBL708630 1.00 ABCB1 (0.52) ABCB1AGTR2KLK7MCL1UCHL1
SCHEMBL708629 1.00 ABCB1 (0.52) ABCB1AGTR2KLK7MCL1UCHL1
SCHEMBL7287734 1.00 ABCB1 (0.52) ABCB1AGTR2KLK7MCL1UCHL1
SCHEMBL1448119 1.00 ABCB1 (0.52) ABCB1AGTR2KLK7MCL1UCHL1
SCHEMBL708628 1.00 ABCB1 (0.52) ABCB1AGTR2KLK7MCL1UCHL1
SCHEMBL26604823 1.00 ABCB1 (0.52) ABCB1AGTR2KLK7MCL1UCHL1
SCHEMBL13164545 0.95 ABCB1 (0.47) ABCB1AGTR2KLK7MCL1UCHL1
SCHEMBL29548192 0.93 MCL1 (0.50) ABCB1AGTR2KLK7MCL1UCHL1

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 34 patents — showing the first 20. 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
WO-2011007877-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE EPOXY COMPOUND, LIGAND USED IN THE METHOD, COMPLEX, METHOD FOR PRODUCING THE LIGAND, AND METHOD FOR PRODUCING THE COMPLEX 日産化学工業株式会社 (JP) 2011-01-20 WO 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
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
EP-1155013-B1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER IND & SANTE (FR) 2003-07-23 EP disclosed
US-6479515-B1 FOR THE TREATMENT OF PAIN AND INFLAMMATION, AND ESPECIALLY IN THE TREATMENT OF ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS FOURNIER INDUSTRIE ET SANTE (FR) 2002-11-12 US disclosed
EP-0784628-A1 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1997-07-23 EP disclosed
EP-0729472-A4 PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS MERCK & CO INC (US) 1997-03-19 EP disclosed
EP-0729472-A1 PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS MERCK & CO. INC. (US) 1996-09-04 EP disclosed
WO-1995035308-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-12-28 WO disclosed
WO-1995014025-A1 PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS MERCK & CO., INC. (US) 1995-05-26 WO disclosed
EP-0572365-A2 Heteroprostanoids, process for their production and therapeutical use thereof NUOVO CONSORZIO SANITARIO NAZIONALE del Dott. Paolo Malizia & C. - S.A.S. (IT) 1993-12-01 EP disclosed
US-5229363-A Fungicides MERCK & CO., INC. (US) 1993-07-20 US disclosed
EP-0500170-A2 Cyclic hexapeptides having antibiotic activity MERCK & CO. INC. (US) 1992-08-26 EP disclosed
EP-0486280-A2 Piperidinylcamphorsulfonyl oxytocin antagonists MERCK & CO. INC. (US) 1992-05-20 EP disclosed
EP-0115091-A1 N-carboxyacyl derivatives of cyclic amino acids, useful as antihypertensives ENI-Ente Nazionale Idrocarburi (IT) 1984-08-08 EP 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 ABCB1 1930/4885AGTR2 647/4885KLK7 922/4885
US-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 ABCB1 1930/4885AGTR2 647/4885KLK7 922/4885
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 ABCB1 1930/4885AGTR2 647/4885KLK7 922/4885

“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.