SCHEMBL2632728

SCHEMBL2632728

CC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.72
LMNA P02545 2/20 0.72
FFAR1 O14842 1/20 0.72
CYP1A2 P05177 1/20 0.72
RAB9A P51151 1/20 0.72
HIF1A Q16665 1/20 0.72
HPGD P15428 3/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
MAPT P10636 5/20 0.63
KDM4E B2RXH2 3/20 0.59
PTPN1 P18031 1/20 0.58
GSK3B P49841 1/20 0.58
ALDH1A1 P00352 2/20 0.58
USP2 O75604 1/20 0.58
ERCC5 P28715 1/20 0.55
FEN1 P39748 1/20 0.55
HAO1 Q9UJM8 1/20 0.55
AGTR1 P30556 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54

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
SCHEMBL8534650 1.00 SMN1; SMN2 (0.72) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
SCHEMBL8534233 0.88 SMN1; SMN2 (0.84) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
SCHEMBL822901 0.88 NR4A2 (0.68) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
SCHEMBL11686001 0.85 SMN1; SMN2 (0.62) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
Fenbufen SCHEMBL11329267 0.84 SMN1; SMN2 (1.00) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
Fenbufen SCHEMBL25117 0.84 SMN1; SMN2 (1.00) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
Levulinic Acid SCHEMBL4826758 0.82 NR4A2 (0.80) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
SCHEMBL3733726 0.82 SMN1; SMN2 (1.00) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
Fenbufen SCHEMBL11393779 0.82 SMN1; SMN2 (0.96) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A
SCHEMBL800972 0.82 ERCC5 (0.67) SMN1; SMN2LMNAFFAR1CYP1A2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220152205-A1 MODULATING PERMEABILITY OF THE BLOOD CEREBROSPINAL FLUID BARRIER MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-19 US disclosed
WO-2016122160-A1 NOVEL DIOXIMESTER COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME 주식회사 삼양사 2016-08-04 WO disclosed
EP-2261236-B1 Composition for proteasome inhibition ONYX THERAPEUTICS INC (US) 2015-07-15 EP disclosed
US-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE UNIVERSIDADE ESTADUAL PAULISTA JULIO DE MESQUITA FILHO - UNESP (BR) 2014-02-27 US disclosed
US-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE UNIVERSIDADE ESTADUAL PAULISTA JULIO DE MESQUITA FILHO - UNESP (BR) 2014-02-27 US disclosed
US-8609713-B2 Pyrrole derivatives and their methods of use ABBVIE INC. (US) 2013-12-17 US disclosed
US-8569335-B2 Compounds derived from taurine, process of their preparation and pharmaceutical compositions containing these EMS S.A. (BR) 2013-10-29 US disclosed
US-8569335-B2 Compounds derived from taurine, process of their preparation and pharmaceutical compositions containing these EMS S.A. (BR) 2013-10-29 US disclosed
US-20120101025-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-20120101026-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
EP-2260835-A2 Composition for proteasome inhibition Proteolix, Inc. (US) 2010-12-15 EP disclosed
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-7741364-B2 Neuronal nicotinic acetylcholine receptor modulators; such as ethyl 1-[4-(aminosulfonyl)phenyl]-5-(4-bromophenyl)-2-methyl-1H-pyrrole-3-carboxylate ABBOTT LABORATORIES (US) 2010-06-22 US disclosed
WO-2009124371-A2 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S. A. (BR) 2009-10-15 WO disclosed
EP-2041085-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-04-01 EP disclosed
US-20090076174-A1 CONTROL RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS BEZWADA BIOMEDICAL, LLC (US) 2009-03-19 US disclosed
US-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2008-04-17 US disclosed
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 US disclosed
WO-2008002974-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-01-03 WO disclosed
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP 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 (8 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-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE PYCR1, PPOX, DHPS SMN1; SMN2 2315/4885LMNA 3511/4885FFAR1 4752/4885
US-20140057959-A1 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE TPMT, UTS2R, NSUN3 SMN1; SMN2 1046/4885LMNA 3909/4885FFAR1 1465/4885
US-20090076174-A1 CONTROL RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS MME, CTSA, ALG1 SMN1; SMN2 3010/4885LMNA 970/4885FFAR1 3581/4885
US-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents ANPEP, DNPEP, CPN1 SMN1; SMN2 2670/4885LMNA 2603/4885FFAR1 4083/4885
US-20220152205-A1 MODULATING PERMEABILITY OF THE BLOOD CEREBROSPINAL FLUID BARRIER C3AR1, CFH, CSF3R SMN1; SMN2 3424/4885LMNA 2853/4885FFAR1 1020/4885
US-20120101026-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 SMN1; SMN2 2923/4885LMNA 3012/4885FFAR1 4301/4885
US-20120101025-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 SMN1; SMN2 2923/4885LMNA 3012/4885FFAR1 4301/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS SMN1; SMN2 2315/4885LMNA 3511/4885FFAR1 4752/4885

“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.