SCHEMBL343583

SCHEMBL343583

CC(C)(C)N(CC1CCC(CO)CC1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
NR1H2 P55055 1/20 0.33
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL343584 1.00 ALOX5 (0.35) ALOX5NR1H2MEN1HTTKMT2A
SCHEMBL16292529 0.94 ALOX5 (0.39) ALOX5MEN1HTTKMT2AL3MBTL1
SCHEMBL1583907 0.89 NR1H2 (0.35) NR1H2
SCHEMBL1498383 0.87 ALOX5 (0.34) ALOX5
SCHEMBL482201 0.87 ALOX5 (0.34) ALOX5
SCHEMBL16874912 0.87 ALOX5 (0.34) ALOX5
SCHEMBL927784 0.85 GABRA5 (0.39)
SCHEMBL1192555 0.85 ALOX5 (0.37) ALOX5
SCHEMBL17440295 0.85 ALOX5 (0.37) ALOX5
SCHEMBL16337952 0.84 L3MBTL3 (0.33) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889676-B2 3-ureidoisoquinolin-8-yl derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
US-20140038961-A1 3-UREIDOISOQUINOLIN-8-YL DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2014-02-06 US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US disclosed
US-20110257181-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-10-20 US disclosed
EP-2295410-A1 HDAC inhibitor Chroma Therapeutics Limited (GB) 2011-03-16 EP disclosed
EP-2280696-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2011-02-09 EP disclosed
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER, INC. (US) 2011-01-13 US 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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS CHUK, MAP2K2, CDK3 ALOX5 690/4885NR1H2 1414/4885MEN1 2654/4885
US-20110257181-A1 PYRIDAZINONE DERIVATIVES MET, TYRO3, ERBB2 ALOX5 3974/4885NR1H2 3824/4885MEN1 195/4885
US-20110009435-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CNR2, CYP2C9, CYP2C8 ALOX5 460/4885NR1H2 1848/4885MEN1 3071/4885
US-20140038961-A1 3-UREIDOISOQUINOLIN-8-YL DERIVATIVES CBR3, CBR1, REL ALOX5 1363/4885NR1H2 950/4885MEN1 4061/4885

“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.