SCHEMBL3348725

SCHEMBL3348725

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ACHE P22303 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.44
PLAU P00749 1/20 0.43
CNR2 P34972 1/20 0.42
CTSL P07711 5/20 0.42
CTSS P25774 5/20 0.42
CTSK P43235 3/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.42
CTSD P07339 1/20 0.41
CTSB P07858 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ALOX15 P16050 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
SCHEMBL3348733 1.00 ATM (0.51) ATMCA1CA2ACHETRPM8
SCHEMBL3343181 0.93 TRPM8 (0.48) ATMTRPM8CTSLCTSSCTSK
SCHEMBL3343179 0.93 TRPM8 (0.48) ATMTRPM8CTSLCTSSCTSK
SCHEMBL3343159 0.91 TRPM8 (0.45) ATMCA1CA2TRPM8PLAU
SCHEMBL3343158 0.91 TRPM8 (0.45) ATMCA1CA2TRPM8PLAU
SCHEMBL3345238 0.90 TP53 (0.47) TRPM8CTSLCTSSCTSKCYP3A4
SCHEMBL3343122 0.90 TRPM8 (0.44) ATMCA2TRPM8CTSLCTSS
SCHEMBL3343120 0.90 TRPM8 (0.44) ATMCA2TRPM8CTSLCTSS
SCHEMBL3345241 0.90 TP53 (0.47) TRPM8CTSLCTSSCTSKCYP3A4
SCHEMBL3340934 0.86 TRPM8 (0.42) TRPM8CTSLCTSSCTSKCYP3A4

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-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
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 ATM 2359/4885CA1 1360/4885CA2 3737/4885
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 ATM 2807/4885CA1 792/4885CA2 1180/4885
US-20100160627-A1 NOVEL LACTAMS AND USES THEREOF BACE1, BACE2, APP ATM 2198/4885CA1 1157/4885CA2 3522/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 ATM 3786/4885CA1 1122/4885CA2 827/4885

“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.