SCHEMBL23455458

SCHEMBL23455458

CC(C)(C)OC(=O)NCC(=O)NCC(N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
GFPT1 Q06210 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.37
APLNR P35414 1/20 0.36
CTSS P25774 3/20 0.35
CTSK P43235 3/20 0.35
SLC7A5 Q01650 1/20 0.35
SYK P43405 1/20 0.35
CASR P41180 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34

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
SCHEMBL23455605 1.00 MEN1 (0.46) MEN1GAAKMT2AGFPT1MAOA
SCHEMBL994583 0.89 MEN1 (0.53) MEN1GAAKMT2AGFPT1MAOA
SCHEMBL994584 0.89 MEN1 (0.53) MEN1GAAKMT2AGFPT1MAOA
SCHEMBL997508 0.89 MEN1 (0.53) MEN1GAAKMT2AGFPT1MAOA
Hydrochloric Acid SCHEMBL668972 0.87 MEN1 (0.51) MEN1GAAKMT2AGFPT1MAOA
Hydrochloric Acid SCHEMBL2680968 0.87 MEN1 (0.51) MEN1GAAKMT2AGFPT1MAOA
Hydrochloric Acid SCHEMBL2681229 0.87 MEN1 (0.51) MEN1GAAKMT2AGFPT1MAOA
Chloromethane SCHEMBL17911911 0.87 MEN1 (0.51) MEN1GAAKMT2AGFPT1MAOA
SCHEMBL23455567 0.86 MAOA (0.39) MEN1GAAKMT2AMAOAMAOB
SCHEMBL20999543 0.86 MAOA (0.39) MEN1GAAKMT2AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 US disclosed
CN-115348861-A Alpha-5 beta-1 inhibitors 加利福尼亚大学董事会 2022-11-15 CN disclosed
EP-4072541-A1 ALPHA-5 BETA-1 INHIBITORS The Regents of the University of California (US) 2022-10-19 EP disclosed
WO-2021119199-A1 ALPHA-5 BETA-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-17 WO disclosed
US-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-10 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 (2 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-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS SCN5A, PSMA5, API5 MEN1 847/4885GAA 174/4885KMT2A 4790/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 MEN1 847/4885GAA 174/4885KMT2A 4790/4885

“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.