SCHEMBL3608658

SCHEMBL3608658

CC(C)(C)OC(=O)NCc1ccc(OCC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.62
NR1H4 Q96RI1 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
HDAC1 Q13547 2/20 0.52
NAMPT P43490 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.45

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
SCHEMBL5987090 0.96 EPHX2 (0.58) EPHX2NR1H4SMN1; SMN2L3MBTL1HDAC1
SCHEMBL1668544 0.92 NR1H4 (0.76) EPHX2NR1H4SMN1; SMN2L3MBTL1HDAC1
SCHEMBL11519663 0.87 HDAC1 (0.54) EPHX2NR1H4L3MBTL1HDAC1NAMPT
SCHEMBL6774590 0.87 L3MBTL1 (0.51) EPHX2NR1H4SMN1; SMN2L3MBTL1HDAC1
SCHEMBL14305174 0.87 L3MBTL1 (0.51) EPHX2NR1H4L3MBTL1HDAC1NAMPT
SCHEMBL11519657 0.87 L3MBTL1 (0.51) EPHX2NR1H4L3MBTL1HDAC1NAMPT
SCHEMBL11904717 0.86 ALDH1A1 (0.52) EPHX2NR1H4L3MBTL1HDAC1CA12
SCHEMBL4427701 0.86 PTPN1 (0.52) EPHX2NR1H4SMN1; SMN2NAMPTGAA
SCHEMBL3180689 0.84 L3MBTL1 (0.61) L3MBTL1HDAC1NAMPTGAAMAPT
SCHEMBL8379053 0.84 NR1H4 (0.58) EPHX2NR1H4SMN1; SMN2L3MBTL1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102325531-A Compounds and methods of use GENENTECH INC 2012-01-18 CN disclosed
US-20100048570-A1 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF Kainos Medicine, Inc (KR) 2010-02-25 US disclosed
EP-2118081-A2 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF Kainos Medicine, Inc., (KR) 2009-11-18 EP disclosed
WO-2008087560-A2 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF KAINOS MEDICINE, INC., (US) 2008-07-24 WO disclosed
US-20070161644-A1 Erastin analogs and uses thereof STOCKWELL BRENT R 2007-07-12 US disclosed
EP-1208089-B1 DIAZOCIN-DIONE DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2004-10-13 EP disclosed
US-6673786-B1 TREATING ALLERGIC OR INFLAMMATORY DISORDERS ALTANA PHARMA AG (DE) 2004-01-06 US disclosed
EP-1208089-A2 DIAZOCIN-DIONE DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2002-05-29 EP disclosed
WO-2001010848-A2 DIAZOCIN-DIONE DERIVATIVES AND THEIR USE S TRYPTASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-02-15 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 (2 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-20070161644-A1 Erastin analogs and uses thereof ERAP2, ERAP1, ERAL1 EPHX2 385/4885NR1H4 35/4885SMN1; SMN2 1759/4885
US-20100048570-A1 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF DPP4, DPP3, DPP7 EPHX2 2271/4885NR1H4 221/4885SMN1; SMN2 2955/4885

“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.