SCHEMBL3920720

SCHEMBL3920720

Cc1ccc2c(c1S(=O)(=O)Cl)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.42
ALDH1A1 P00352 2/20 0.38
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
PTGES2 Q9H7Z7 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
STAT3 P40763 1/20 0.33
DPP4 P27487 1/20 0.33
METAP2 P50579 1/20 0.33
STS P08842 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
Hydrochloric Acid SCHEMBL3920726 0.80 CES1 (0.41) CES1ALDH1A1LMNANPSR1POLB
SCHEMBL22802458 0.80 HTR2A (0.40) CES1ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL3919084 0.79 ALDH1A1 (0.42) CES1ALDH1A1LMNANPSR1POLB
SCHEMBL20112700 0.69 CES1 (0.52) CES1ALDH1A1LMNABCL2L1BAD
SCHEMBL599446 0.69 CES1 (0.43) CES1ALDH1A1LMNABCL2L1BAD
SCHEMBL4091751 0.69 TDP2 (0.39) ALDH1A1LMNANPSR1KDM4EGAA
SCHEMBL16527054 0.68 CES1 (0.40) CES1LMNABCL2L1BADSTAT3
SCHEMBL13950606 0.68 CES1 (0.39) CES1ALDH1A1LMNAKDM4EGAA
SCHEMBL30727415 0.68 BCL2L1 (0.47) CES1ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL3358410 0.68 BCL2L1 (0.47) CES1ALDH1A1LMNANPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534787-B2 Method of treating diseases and conditions associated with an altered level of amyloid beta peptides and new enolcarboxamide compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-19 US disclosed
US-20090099159-A1 Method of Treating Diseases and Conditions Associated with an Altered Level of Amyloid Beta Peptides and New Enolcarboxamide Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 US disclosed
US-7393843-B2 Method of treating diseases and conditions associated with an altered level of amyloid β peptides and new enolcarboxamide compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-01 US disclosed
US-20080139541-A1 Method of treating diseases and conditions associated with an altered level of amyloid beta peptides and new enolcarboxamide compounds BORNEMANN KLAUS 2008-06-12 US disclosed
US-7375220-B2 Method of treating diseases and conditions associated with an altered level of amyloid β peptides and new enolcarboxamide compounds BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2008-05-20 US disclosed
EP-1750719-A2 TREATMENT OF DISEASES ASSOCIATED WITH ALTERED LEVEL OF AMYLOID BETA PEPTIDES Boehringer Ingelheim International GmbH (DE) 2007-02-14 EP disclosed
US-20060040928-A1 Method of treating diseases and conditions associated with an altered level of amyloid beta peptides and new enolcarboxamide compounds BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2006-02-23 US disclosed
US-20050277635-A1 Method of treating diseases and conditions associated with an altered level of amyloid beta peptides and new enolcarboxamide compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 US disclosed
WO-2005110422-A2 TREATMENT OF DISEASES ASSOCIATED WITH ALTERED LEVEL OF AMYLOID BETA PEPTIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 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-20060040928-A1 Method of treating diseases and conditions associated with an altered level of amyloid beta peptides and new enolcarboxamide compounds APP, BACE1, PSEN1 CES1 69/4885ALDH1A1 1191/4885LMNA 35/4885
US-20090099159-A1 Method of Treating Diseases and Conditions Associated with an Altered Level of Amyloid Beta Peptides and New Enolcarboxamide Compounds APP, BACE1, PSEN1 CES1 69/4885ALDH1A1 1191/4885LMNA 35/4885
US-20050277635-A1 Method of treating diseases and conditions associated with an altered level of amyloid beta peptides and new enolcarboxamide compounds APP, BACE1, PSEN1 CES1 69/4885ALDH1A1 1191/4885LMNA 35/4885
US-20080139541-A1 Method of treating diseases and conditions associated with an altered level of amyloid beta peptides and new enolcarboxamide compounds APP, BACE1, PSEN1 CES1 73/4885ALDH1A1 1177/4885LMNA 35/4885

“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.