SCHEMBL5967331

SCHEMBL5967331

COc1ccc2cc(CC(=O)N3C(=O)OC[C@@H]3Cc3ccccc3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
FAAH O00519 5/20 0.41
APP P05067 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NAAA Q02083 2/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CACNA1G O43497 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 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
SCHEMBL5967337 1.00 PTGS1 (0.48) PTGS1AKR1C3AKR1C2FAAHAPP
SCHEMBL7423431 0.91 FAAH (0.48) FAAHMEN1KMT2ANAAACSNK2B
SCHEMBL17186412 0.91 FAAH (0.48) FAAHMEN1KMT2ANAAACSNK2B
SCHEMBL4515997 0.91 ALDH1A1 (0.48) FAAHMEN1KMT2ANPC1ALDH1A1
SCHEMBL2370627 0.91 ALDH1A1 (0.48) FAAHMEN1KMT2ANPC1ALDH1A1
SCHEMBL1153166 0.91 ALDH1A1 (0.48) FAAHMEN1KMT2ANPC1ALDH1A1
SCHEMBL15807584 0.90 SMN1; SMN2 (0.47) PTGS1AKR1C3AKR1C2FAAHAPP
SCHEMBL15802593 0.88 NAAA (0.52) PTGS1AKR1C3AKR1C2FAAHNAAA
SCHEMBL15506202 0.87 TACR1 (0.45) FAAHNAAACSNK2BCSNK2A1ALDH1A1
SCHEMBL15516356 0.87 TACR1 (0.45) FAAHNAAACSNK2BCSNK2A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223761-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. (US) 2006-10-05 US disclosed
US-6888022-B2 Methods and compounds for inhibiting β-amyloid peptide release and/or its synthesis ATHENA NEUROSCIENCES, INC. (US) 2005-05-03 US disclosed
US-6861558-B2 Methods and compounds for inhibiting β-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. (US) 2005-03-01 US disclosed
US-20030229024-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis AUDIA JAMES E (US) 2003-12-11 US disclosed
US-6476263-B1 Compounds for inhibiting β-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020052322-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. 2002-05-02 US disclosed
US-6211235-B1 ALZHEIMERS DISEASE ELAN PHARMACEUTICALS, INC. 2001-04-03 US disclosed
US-6207710-B1 FOR THERAPY OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2001-03-27 US disclosed
US-6191166-B1 ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2001-02-20 US disclosed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP disclosed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 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 (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-20020052322-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP PTGS1 502/4885AKR1C3 3440/4885AKR1C2 3134/4885
US-20060223761-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP PTGS1 547/4885AKR1C3 3379/4885AKR1C2 3140/4885
US-20030229024-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP PTGS1 502/4885AKR1C3 3440/4885AKR1C2 3134/4885

“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.