SCHEMBL4871582

SCHEMBL4871582

CCC(C(=O)c1ccccc1)C(O)=S

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.53
PGR P06401 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
HTR2A P28223 1/20 0.49
HRH1 P35367 1/20 0.49
KCNH2 Q12809 1/20 0.49
LMNA P02545 2/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTNNB1 P35222 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL4871573 1.00 MDM2 (0.53) MDM2PGRADRA2AADRA2BHTR2A
SCHEMBL1704486 0.88 MDM2 (0.61) MDM2PGRADRA2AADRA2BHTR2A
SCHEMBL442090 0.86 MDM2 (0.59) MDM2PGRADRA2AADRA2BHTR2A
SCHEMBL11845519 0.85 MDM2 (0.50) MDM2PGRADRA2AADRA2BHTR2A
Fluoride SCHEMBL28046161 0.84 MDM2 (0.57) MDM2PGRADRA2AADRA2BHTR2A
SCHEMBL8882147 0.82 MDM2 (0.55) MDM2PGRADRA2AADRA2BHTR2A
SCHEMBL3163300 0.82 MDM2 (0.55) MDM2PGRADRA2AADRA2BHTR2A
SCHEMBL6990936 0.81 MDM2 (0.81) MDM2TDP1L3MBTL1CTNNB1ALDH1A1
SCHEMBL6990929 0.81 MDM2 (0.81) MDM2TDP1L3MBTL1CTNNB1ALDH1A1
SCHEMBL7164412 0.81 MDM2 (0.81) MDM2TDP1L3MBTL1CTNNB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507765-A4 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INST BIOLOG RES (IL) 2006-11-02 EP claimed
CN-1662506-A Methods and compositions for treatment of central and peripheral nervous system disorders and novel compounds useful therefor ISRAEL INST BIOLOG RES (IL) 2005-08-31 CN claimed
EP-1507765-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2005-02-23 EP claimed
WO-2003092580-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2003-11-13 WO claimed
US-20080306103-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH 2008-12-11 US disclosed
US-7439251-B2 Methods and compositions for treatment of central and peripheral nervous system disorders and novel compounds useful therefor ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2008-10-21 US disclosed
EP-1507765-A4 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INST BIOLOG RES (IL) 2006-11-02 EP disclosed
US-7049321-B2 Methods and pharmaceutical compositions for treatment of central and peripheral nervous system disorders and compounds useful therefor ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2006-05-23 US disclosed
US-20060052406-A1 Methods and compositions for treatment of central and peripheral nervous system disorders and novel compounds useful therefor ISREAL INSTITUTE FOR BIOLOGICAL RESEARCH (US) 2006-03-09 US disclosed
CN-1662506-A Methods and compositions for treatment of central and peripheral nervous system disorders and novel compounds useful therefor ISRAEL INST BIOLOG RES (IL) 2005-08-31 CN disclosed
EP-1507765-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2005-02-23 EP disclosed
US-20040044018-A1 Methods and pharmaceutical compositions for treatment of central and peripheral nervous system disorders and compounds useful therefor ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH 2004-03-04 US disclosed
WO-2003092580-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2003-11-13 WO disclosed
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 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 (3 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-20080306103-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CENTRAL AND PERIPHERAL NERVOUS SYSTEM DISORDERS AND NOVEL COMPOUNDS USEFUL THEREFOR PMP22, PYGB, GAP43 MDM2 4581/4885PGR 2163/4885ADRA2A 898/4885
US-20040044018-A1 Methods and pharmaceutical compositions for treatment of central and peripheral nervous system disorders and compounds useful therefor PMP22, PYGB, GAP43 MDM2 4461/4885PGR 1715/4885ADRA2A 819/4885
US-20060052406-A1 Methods and compositions for treatment of central and peripheral nervous system disorders and novel compounds useful therefor PMP22, PYGB, GAP43 MDM2 4581/4885PGR 2163/4885ADRA2A 898/4885

“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.