SCHEMBL3931527

SCHEMBL3931527

CNS(=O)(=O)c1cc2ccccc2cc1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MMP2 P08253 5/20 0.45
▸ MMP12 P39900 5/20 0.45
▸ MMP13 P45452 5/20 0.45
▸ MMP14 P50281 5/20 0.45
▸ MMP8 P22894 4/20 0.45
▸ MMP16 P51512 4/20 0.45
▸ MMP9 P14780 4/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ MMP1 P03956 3/20 0.42
▸ MMP3 P08254 3/20 0.42
▸ TSHR P16473 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3928696 0.85 CA12 (0.43) MMP2MMP12MMP13MMP14MMP8
SCHEMBL6479739 0.82 MMP2 (0.55) MMP2MMP12MMP13MMP14MMP8
SCHEMBL29131708 0.76 TDP1 (0.61) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL3916747 0.75 KDM4E (0.43) MMP2MMP12MMP13MMP14MMP8
SCHEMBL3919955 0.72 L3MBTL1 (0.55) L3MBTL1MEN1KMT2AALDH1A1TSHR
SCHEMBL6478231 0.71 MMP2 (0.52) MMP2MMP12MMP13MMP14MMP8
SCHEMBL12936006 0.70 TDP1 (0.58) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL218722 0.70 AKR1B1 (0.61) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL9394407 0.68 ALDH1A1 (0.56) L3MBTL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6069328 0.68 MMP2 (0.58) MMP2MMP12MMP13MMP14MMP8

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 L3MBTL1 311/4885MMP2 1983/4885MMP12 2319/4885
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 L3MBTL1 311/4885MMP2 1983/4885MMP12 2319/4885
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 L3MBTL1 311/4885MMP2 1983/4885MMP12 2319/4885
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 L3MBTL1 320/4885MMP2 1980/4885MMP12 2414/4885

“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.

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