SCHEMBL3343158

SCHEMBL3343158

COC(=O)C(NC(=O)OCc1ccccc1)C(Sc1ccccc1N)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.45
CTSL P07711 4/20 0.41
CTSS P25774 4/20 0.41
CTSB P07858 3/20 0.41
CTSK P43235 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 2/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
CA1 P00915 1/20 0.40
KYNU Q16719 1/20 0.40
PLAU P00749 1/20 0.40
ATM Q13315 1/20 0.40
CA2 P00918 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
SCHEMBL3343159 1.00 TRPM8 (0.45) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL3343179 0.94 TRPM8 (0.48) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL3343181 0.94 TRPM8 (0.48) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL3345241 0.91 TP53 (0.47) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL3345238 0.91 TP53 (0.47) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL3343122 0.91 TRPM8 (0.44) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL3348725 0.91 ATM (0.51) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL3348733 0.91 ATM (0.51) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL3343120 0.91 TRPM8 (0.44) TRPM8CTSLCTSSCTSBCTSK
SCHEMBL3340934 0.87 TRPM8 (0.42) TRPM8CTSLCTSSCTSBCTSK

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 6 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-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 (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-20060089346-A1 Novel lactams and uses thereof BACE1, BACE2, APH1B TRPM8 4397/4885CTSL 930/4885CTSS 325/4885
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 848/4885CTSL 2323/4885CTSS 1063/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP TRPM8 4284/4885CTSL 738/4885CTSS 289/4885

“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.