SCHEMBL4103271

SCHEMBL4103271

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
CTSK P43235 7/20 0.47
CTSS P25774 4/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CAPN1 P07384 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
FOLH1 Q04609 1/20 0.42
TGM2 P21980 1/20 0.42
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
SIRT5 Q9NXA8 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL27118454 1.00 MEN1 (0.50) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL21284233 1.00 MEN1 (0.50) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL2367531 0.96 MEN1 (0.55) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL7364210 0.96 MEN1 (0.55) MEN1GAAKMT2AALDH1A1TSHR
SCHEMBL1486276 0.96 MEN1 (0.55) MEN1GAAKMT2AALDH1A1TSHR
Water SCHEMBL10332189 0.95 MEN1 (0.54) MEN1GAAKMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL7264801 0.95 MEN1 (0.54) MEN1GAAKMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL8630295 0.95 MEN1 (0.54) MEN1GAAKMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL10444447 0.95 MEN1 (0.54) MEN1GAAKMT2AALDH1A1TSHR
Water SCHEMBL10332190 0.95 MEN1 (0.54) MEN1GAAKMT2AALDH1A1TSHR

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-10363290-B2 Butyrylcholinesterase zwitterionic polymer conjugates KODIAK SCIENCES INC. (US) 2019-07-30 US disclosed
US-20160184445-A1 BUTYRYLCHOLINESTERASE ZWITTERIONIC POLYMER CONJUGATES OLIGASIS, LLC 2016-06-30 US 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
WO-1989007609-A1 HOMOARGININE-BASED PEPTIDES AS PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1989-08-24 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-10363290-B2 Butyrylcholinesterase zwitterionic polymer conjugates BCHE, ACHE, FCER2 MEN1 3310/4885GAA 873/4885KMT2A 2037/4885
US-20160184445-A1 BUTYRYLCHOLINESTERASE ZWITTERIONIC POLYMER CONJUGATES BCHE, ACHE, FCER2 MEN1 3310/4885GAA 873/4885KMT2A 2037/4885
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA MEN1 261/4885GAA 4688/4885KMT2A 322/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 MEN1 294/4885GAA 3613/4885KMT2A 555/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 MEN1 237/4885GAA 4099/4885KMT2A 949/4885
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 MEN1 455/4885GAA 1616/4885KMT2A 665/4885

“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.