SCHEMBL2396656

SCHEMBL2396656

CC(C)(C[C@H](N)C(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 0.58
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48

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
SCHEMBL2396652 1.00 KIF11 (0.58) KIF11ALPIPKMPTGS1XIAP
SCHEMBL28686507 0.85 KIF11 (0.58) KIF11ALPIPKMPTGS1XIAP
SCHEMBL29053902 0.81 KIF11 (0.68) KIF11ALPIPKMPTGS1XIAP
SCHEMBL29053899 0.81 KIF11 (0.68) KIF11ALPIPKMPTGS1XIAP
SCHEMBL27943974 0.79 CYP2C19 (0.46) KIF11TAAR1
SCHEMBL15848814 0.78 KIF11 (0.38) KIF11
SCHEMBL111421 0.76 CYP1A2 (0.46) KIF11TAAR1
SCHEMBL10831632 0.76 TAAR1 (0.56) KIF11TAAR1
SCHEMBL27255727 0.76 KIF11 (0.52) KIF11
SCHEMBL1835145 0.75 ALPI (0.55) KIF11ALPIPKMPTGS1XIAP

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663958-B1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2015-02-25 EP disclosed
US-8013186-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-09-06 US disclosed
US-7737300-B2 Processes and intermediates preparing cysteine protease inhibitors VIROBAY, INC. (US) 2010-06-15 US disclosed
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-7547701-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-06-16 US disclosed
US-20090023781-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors VIROBAY, INC. (US) 2009-01-22 US disclosed
US-20080114175-A1 Processes and Intermediates Preparing Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-05-15 US disclosed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
EP-1761485-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering AG (DE) 2007-03-14 EP disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 US disclosed
EP-1664003-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-06-07 EP disclosed
EP-1663958-A2 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-06-07 EP disclosed
US-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 US disclosed
EP-1569954-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-09-07 EP disclosed
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-08-18 US disclosed
WO-2005028454-A1 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-03-31 WO disclosed
WO-2005028429-A2 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-03-31 WO disclosed
WO-2004108661-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS (US) 2004-12-16 WO disclosed
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. 2004-07-01 US disclosed
WO-2004052921-A1 CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-24 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 (7 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-20090023781-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE KIF11 2441/4885ALPI 2005/4885PKM 3126/4885
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS KIF11 4366/4885ALPI 925/4885PKM 1928/4885
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors CTSF, CTSS, CTSE KIF11 2441/4885ALPI 2005/4885PKM 3126/4885
US-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB KIF11 3221/4885ALPI 2153/4885PKM 2755/4885
US-20080114175-A1 Processes and Intermediates Preparing Cysteine Protease Inhibitors SPINT2, PREP, CPN1 KIF11 4075/4885ALPI 2746/4885PKM 3340/4885
US-20040127426-A1 Peptidic compounds as cysteine protease inhibitors CTSF, CTSB, CTSS KIF11 3241/4885ALPI 2795/4885PKM 2046/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE KIF11 2441/4885ALPI 2005/4885PKM 3126/4885

“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.