SCHEMBL4097845

SCHEMBL4097845

CC(C)(C)OC(=O)N[C@@H](CNC(=N)N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.47
CTSK P43235 8/20 0.47
PPARA Q07869 8/20 0.45
PPARG P37231 7/20 0.45
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
PPARD Q03181 2/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ACE P12821 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
SCHEMBL25249372 1.00 CTSS (0.47) CTSSCTSKPPARAPPARGCTSL
SCHEMBL23979014 0.88 CTSK (0.49) CTSSCTSKPPARAPPARGCTSL
SCHEMBL29157629 0.88 CTSK (0.49) CTSSCTSKPPARAPPARGCTSL
SCHEMBL5019146 0.85 CTSS (0.54) CTSSCTSKPPARAPPARGCTSL
SCHEMBL1626495 0.85 CTSS (0.54) CTSSCTSKPPARAPPARGCTSL
SCHEMBL3544394 0.85 CTSS (0.54) CTSSCTSKPPARAPPARGCTSL
SCHEMBL30171969 0.85 MEN1 (0.47) CTSSCTSKPPARAPPARGCTSL
SCHEMBL15328420 0.85 CTSS (0.47) CTSSCTSKPPARAPPARGCTSL
SCHEMBL15328418 0.85 CTSS (0.47) CTSSCTSKPPARAPPARGCTSL
SCHEMBL1486276 0.83 MEN1 (0.55) CTSSCTSKPPARAPPARGCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203043-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-06-29 US disclosed
CN-115485279-A Antibacterial 8-phenylamino-3- (pyrazol-4-yl) imidazo [1,2-a ] pyrazine derivatives 豪夫迈·罗氏有限公司 2022-12-16 CN disclosed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP 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 (5 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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA CTSS 4625/4885CTSK 3549/4885PPARA 4356/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 CTSS 4169/4885CTSK 1663/4885PPARA 4641/4885
US-20230203043-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IKZF3, INTS9, CYP2C9 CTSS 2970/4885CTSK 1925/4885PPARA 2286/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 CTSS 4672/4885CTSK 2866/4885PPARA 4386/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT CTSS 3492/4885CTSK 2487/4885PPARA 4620/4885

“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.