SCHEMBL3348663

SCHEMBL3348663

COC(=O)[C@H](CCOCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.64
PPARG P37231 2/20 0.58
CTSS P25774 4/20 0.57
KLK5 Q9Y337 3/20 0.53
CTSK P43235 4/20 0.51
KLK7 P49862 3/20 0.51
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
SYK P43405 1/20 0.49
ACE P12821 1/20 0.48
KYNU Q16719 1/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL3348658 1.00 PPARA (0.64) PPARAPPARGCTSSKLK5CTSK
SCHEMBL1101542 0.92 PPARA (0.59) PPARAPPARGCTSSKLK5KLK7
SCHEMBL955526 0.90 PPARA (0.74) PPARAPPARGCTSSKLK5CTSK
SCHEMBL955527 0.90 PPARA (0.74) PPARAPPARGCTSSKLK5CTSK
SCHEMBL1312604 0.90 PPARA (0.74) PPARAPPARGCTSSKLK5CTSK
SCHEMBL20905468 0.89 PPARA (0.69) PPARAPPARGCTSSKLK5CTSK
SCHEMBL22390654 0.88 PPARA (0.53) PPARAPPARGCTSSKLK5CTSK
SCHEMBL22390655 0.88 PPARA (0.53) PPARAPPARGCTSSKLK5CTSK
SCHEMBL11901546 0.88 PPARA (0.64) PPARAPPARGCTSSKLK5CTSK
SCHEMBL5249102 0.88 PPARA (0.74) PPARAPPARGCTSSKLK5CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3935042-B1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC (KR) 2024-08-28 EP disclosed
US-12071412-B2 Caspase inhibitors and methods of use thereof NOBO MEDICINE INC. (KR) 2024-08-27 US disclosed
US-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2023-08-10 US disclosed
US-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2023-08-10 US disclosed
US-11597703-B2 Caspase inhibitors and methods of use thereof HISTOGEN, INC. (US) 2023-03-07 US disclosed
US-11597703-B2 Caspase inhibitors and methods of use thereof HISTOGEN, INC. (US) 2023-03-07 US disclosed
US-20200283396-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2020-09-10 US disclosed
US-20200283396-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2020-09-10 US disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US disclosed
US-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 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 (6 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-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 PPARA 3631/4885PPARG 3105/4885CTSS 66/4885
US-20200283396-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 PPARA 3631/4885PPARG 3105/4885CTSS 66/4885
US-12071412-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 PPARA 3631/4885PPARG 3105/4885CTSS 66/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 PPARA 3524/4885PPARG 4443/4885CTSS 271/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP PPARA 3166/4885PPARG 3594/4885CTSS 44/4885
US-11597703-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 PPARA 3631/4885PPARG 3105/4885CTSS 66/4885

“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.