SCHEMBL715619

SCHEMBL715619

CC(C)(C)OC(=O)[C@@]1(C(=O)O)NCc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
MAPK1 P28482 1/20 0.35
KDM1A O60341 1/20 0.35
LMNA P02545 1/20 0.34
BLM P54132 1/20 0.34
NR1H2 P55055 3/20 0.33
RXRA P19793 2/20 0.33
NR1H3 Q13133 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL30899459 1.00 EPHX2 (0.38) EPHX2MAPK1KDM1ALMNABLM
SCHEMBL304611 1.00 EPHX2 (0.38) EPHX2MAPK1KDM1ALMNABLM
SCHEMBL5211064 0.86 MAPK1 (0.36) EPHX2MAPK1KDM1ALMNABLM
SCHEMBL1325109 0.82 THRB (0.38) LMNABLM
SCHEMBL23183322 0.80 EPHX2 (0.39) EPHX2MAPK1KDM1ALMNABLM
SCHEMBL17648648 0.80 EPHX2 (0.39) EPHX2MAPK1KDM1ALMNABLM
SCHEMBL19122693 0.77 EPHX2 (0.37) EPHX2MAPK1KDM1ADDB1CRBN
SCHEMBL27945905 0.75 EPHX2 (0.38) EPHX2MAPK1MEN1KMT2AGPR119
SCHEMBL28146558 0.71 ALDH1A1 (0.37) KDM1ABLMRECQLALDH1A1CYP3A4
SCHEMBL1202127 0.71 ESR2 (0.41) LMNABLMNR1H2NR1H3RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280970-B1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-8124636-B2 Imidazolidinone derivatives as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-8080556-B2 2-amino pyrimidine compounds as potent HSP-90 inhibitors PFIZER INC. (US) 2011-12-20 US disclosed
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 US disclosed
EP-2118111-B1 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER PFIZER (US) 2011-03-23 EP disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 US disclosed
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 US disclosed
US-20100041681-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS PFIZER INC 2010-02-18 US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
WO-2008059368-A2 FUSED 2-AMINO PYRIMIDINE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2008-05-22 WO disclosed
WO-2008053319-A1 AMIDE RESORCINOL COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-05-08 WO disclosed
EP-1879863-A1 AMIDE RESORCINOL COMPOUNDS Pfizer, Inc. (US) 2008-01-23 EP disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
EP-1773821-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2007-04-18 EP disclosed
US-20060252778-A1 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction MERCK SHARP & DOHME CORP. 2006-11-09 US disclosed
WO-2006117669-A1 AMIDE RESORCINOL COMPOUNDS PFIZER INC. (US) 2006-11-09 WO disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 EPHX2 727/4885MAPK1 2340/4885KDM1A 3134/4885
US-20100041681-A1 2-AMINO PYRIMIDINE COMPOUNDS AS POTENT HSP-90 INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 EPHX2 3386/4885MAPK1 1211/4885KDM1A 3625/4885
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P EPHX2 3298/4885MAPK1 2149/4885KDM1A 3561/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF EPHX2 519/4885MAPK1 2191/4885KDM1A 3075/4885
US-20060252778-A1 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction ADAM17, ADAMTS1, ADAM10 EPHX2 621/4885MAPK1 2607/4885KDM1A 1395/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 EPHX2 639/4885MAPK1 979/4885KDM1A 3701/4885
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS HSP90AB2P, HSP90AB1, HSP90AA1 EPHX2 2581/4885MAPK1 1703/4885KDM1A 3928/4885

“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.