SCHEMBL3344764

SCHEMBL3344764

COC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Sc1ccccc1N)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
PTPN7 P35236 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 5/20 0.41
TSHR P16473 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3344761 1.00 PPARG (0.44) PPARGTRPM8MEN1LMNAKMT2A
SCHEMBL3343179 0.90 TRPM8 (0.48) PPARGTRPM8MEN1LMNAKMT2A
SCHEMBL3343181 0.90 TRPM8 (0.48) PPARGTRPM8MEN1LMNAKMT2A
SCHEMBL3345238 0.90 TP53 (0.47) PPARGTRPM8MEN1LMNAKMT2A
SCHEMBL3345241 0.90 TP53 (0.47) PPARGTRPM8MEN1LMNAKMT2A
SCHEMBL3340934 0.89 TRPM8 (0.42) PPARGTRPM8MEN1LMNAKMT2A
SCHEMBL3340939 0.89 TRPM8 (0.42) PPARGTRPM8MEN1LMNAKMT2A
SCHEMBL3340897 0.89 TRPM8 (0.44) PPARGTRPM8MEN1LMNAKMT2A
SCHEMBL3340893 0.89 TRPM8 (0.44) PPARGTRPM8MEN1LMNAKMT2A
SCHEMBL3550564 0.85 TRPM8 (0.44) PPARGTRPM8MEN1LMNAKMT2A

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-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
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
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 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-20060089346-A1 Novel lactams and uses thereof BACE1, BACE2, APH1B PPARG 3654/4885TRPM8 4397/4885MEN1 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 PPARG 292/4885TRPM8 848/4885MEN1 4378/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP PPARG 3478/4885TRPM8 4284/4885MEN1 2194/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 PPARG 1147/4885TRPM8 369/4885MEN1 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.