SCHEMBL3919989

SCHEMBL3919989

CN1C(=O)Cc2cc3ccccc3cc2S1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
HTR3A P46098 2/20 0.36
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
BRD4 O60885 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HSD11B1 P28845 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL3922550 0.80 CA12 (0.45) MEN1KMT2ACA2CA9HPGD
SCHEMBL4611133 0.80 CA9 (0.50) CA2CA9CYP1A2CYP2C9CYP2C19
SCHEMBL3917904 0.75 GAA (0.34) CA2CA9CYP1A2CYP2C9CYP2C19
SCHEMBL8344705 0.75 CA2 (0.38) MEN1KMT2ACA2CA9HPGD
SCHEMBL20172048 0.71 CA9 (0.62) CA2CA9CYP1A2CYP2C9CYP2C19
SCHEMBL11477363 0.68 CA2 (0.33) CA2CA9
SCHEMBL5565920 0.66 MEN1 (0.39) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11531553 0.65 CA2 (0.37) MEN1KMT2ACA2CA9CYP2C9
SCHEMBL29854087 0.64 HTR3A (0.48) MEN1KMT2AHTR3AHPGDTSHR
SCHEMBL4642766 0.64 HTR3A (0.48) MEN1KMT2AHTR3AHPGDTSHR

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-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
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

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 MEN1 1341/4885KMT2A 4307/4885CA2 1060/4885
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 MEN1 1341/4885KMT2A 4307/4885CA2 1060/4885
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 MEN1 1341/4885KMT2A 4307/4885CA2 1060/4885
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 MEN1 1379/4885KMT2A 4351/4885CA2 1149/4885

“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.