SCHEMBL8214939

SCHEMBL8214939

COC(=O)c1cccc(C2CCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.53
RIPK1 Q13546 2/20 0.53
UCHL1 P09936 2/20 0.48
USP30 Q70CQ3 2/20 0.48
NR1H2 P55055 3/20 0.46
NR1H3 Q13133 3/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 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
SCHEMBL321027 1.00 ROCK2 (0.53) ROCK2RIPK1UCHL1USP30NR1H2
SCHEMBL321319 0.88 RIPK1 (0.52) ROCK2RIPK1UCHL1USP30NR1H2
SCHEMBL322073 0.88 RIPK1 (0.52) ROCK2RIPK1UCHL1USP30NR1H2
SCHEMBL1653727 0.85 NPC1 (0.52) RIPK1UCHL1USP30NR1H2NR1H3
SCHEMBL17538788 0.84 ROCK2 (0.55) ROCK2RIPK1UCHL1USP30NPC1
SCHEMBL28089302 0.84 PARP14 (0.53) RIPK1UCHL1NR1H2NR1H3ALDH1A1
SCHEMBL878861 0.83 NPSR1 (0.56) ROCK2RIPK1UCHL1NR1H2NR1H3
SCHEMBL24526689 0.83 UCHL1 (0.50) RIPK1UCHL1USP30NR1H2NR1H3
SCHEMBL4143731 0.83 HSP90AA1 (0.61) UCHL1USP30NPC1NPSR1LMNA
SCHEMBL14194358 0.83 HSP90AA1 (0.61) UCHL1USP30NPC1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118265696-A Aryl carboxylic acid compound and application thereof in preparation of Mrgpr X < 4 > inhibitor 深圳博瑞医药科技有限公司 2024-06-28 CN disclosed
EP-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
US-8039467-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2011-10-18 US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 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 (4 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 ROCK2 3898/4885RIPK1 2544/4885UCHL1 2145/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ROCK2 3781/4885RIPK1 1785/4885UCHL1 1850/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ROCK2 2312/4885RIPK1 1420/4885UCHL1 1433/4885
US-20120178752-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA ROCK2 2/4885RIPK1 942/4885UCHL1 4498/4885

“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.