SCHEMBL3344901

SCHEMBL3344901

COC(=O)C(NC(=O)OCc1ccccc1)C(Sc1ccccc1N)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.44
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
OPRK1 P41145 2/20 0.41
PTPN7 P35236 1/20 0.41
OPRM1 P35372 1/20 0.41
HTT P42858 1/20 0.41
DUSP3 P51452 1/20 0.41
CTSL P07711 4/20 0.40
CTSS P25774 4/20 0.40
CTSB P07858 3/20 0.40
CTSK P43235 2/20 0.40
ALOX15 P16050 1/20 0.40
KYNU Q16719 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39

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
SCHEMBL3344904 1.00 TRPM8 (0.44) TRPM8ALDH1A1MEN1LMNAKMT2A
SCHEMBL3342971 0.88 TRPM8 (0.44) TRPM8ALDH1A1MEN1LMNAKMT2A
SCHEMBL3342976 0.88 TRPM8 (0.44) TRPM8ALDH1A1MEN1LMNAKMT2A
SCHEMBL3343181 0.87 TRPM8 (0.48) TRPM8ALDH1A1MEN1LMNAKMT2A
SCHEMBL3343179 0.87 TRPM8 (0.48) TRPM8ALDH1A1MEN1LMNAKMT2A
SCHEMBL3345241 0.86 TP53 (0.47) TRPM8ALDH1A1MEN1LMNAKMT2A
SCHEMBL3345238 0.86 TP53 (0.47) TRPM8ALDH1A1MEN1LMNAKMT2A
SCHEMBL3340939 0.86 TRPM8 (0.42) TRPM8ALDH1A1MEN1LMNAKMT2A
SCHEMBL3340934 0.86 TRPM8 (0.42) TRPM8ALDH1A1MEN1LMNAKMT2A
SCHEMBL3349421 0.85 TRPM8 (0.42) TRPM8ALDH1A1OPRK1CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858776-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2010-12-28 US disclosed
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-20090054398-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1996202-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-12-03 EP disclosed
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US disclosed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed
WO-2007104933-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 US disclosed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 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-20060089346-A1 Novel lactams and uses thereof BACE1, BACE2, APH1B TRPM8 4397/4885ALDH1A1 2343/4885MEN1 1947/4885
US-20080076752-A1 substituted structure of 3-amino-2-(2,5-difluorophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one; 6-amino-7-phenyl-1,4-thiazepan-5-one; -amino-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one for treating neurological disorders such as Alzheimer's; inhibit the production of amyloid beta protein APP, BACE1, PSEN1 TRPM8 848/4885ALDH1A1 1630/4885MEN1 4378/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP TRPM8 4284/4885ALDH1A1 2328/4885MEN1 2194/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 TRPM8 369/4885ALDH1A1 1230/4885MEN1 68/4885

“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.