SCHEMBL2422937

SCHEMBL2422937

CC(C)(C)NC(C(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC7A5 Q01650 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL148821 1.00 CA2 (0.36) CA2ALDH1A1MAPTPTGS1SLC7A5
Hydrochloric Acid SCHEMBL837997 0.97 CA2 (0.35) CA2ALDH1A1MAPTPTGS1
SCHEMBL27829241 0.80 CA2 (0.34) CA2ALDH1A1MAPTPTGS1
SCHEMBL7756606 0.77 CNR2 (0.31)
SCHEMBL13967018 0.77 L3MBTL1 (0.30)
SCHEMBL16501774 0.77 L3MBTL1 (0.30)
SCHEMBL7270355 0.77 CYP2B6 (0.34) CA2
SCHEMBL3458098 0.76 CA2 (0.37) CA2ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL28479550 0.76 CA2 (0.37) CA2ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL3458099 0.76 CA2 (0.37) CA2ALDH1A1MAPTPTGS1SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287123-A1 ANTIVIRAL NUCLEOSIDE ANALOGUES VICTORIA LINK LIMITED (NZ) 2024-08-29 US disclosed
EP-4351581-A1 ANTIVIRAL NUCLEOSIDE ANALOGUES Victoria Link Limited (NZ) 2024-04-17 EP disclosed
WO-2022260535-A1 ANTIVIRAL NUCLEOSIDE ANALOGUES VICTORIA LINK LIMITED (NZ) 2022-12-15 WO disclosed
US-10723720-B2 Bisamide sarcomere activating compounds and uses therof AMGEN INC. (US) 2020-07-28 US disclosed
US-20190077793-A1 BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF AMGEN INC. 2019-03-14 US disclosed
US-9040566-B2 Adenosine A1 agonists for the treatment of glaucoma and ocular hypertension BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-26 US disclosed
US-20150133364-A1 DIPEPTOID PRODRUGS AND THEIR USE BAYER IP GMBH (DE) 2015-05-14 US disclosed
US-8957017-B2 Dipeptoid prodrugs and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-02-17 US disclosed
US-20140206879-A1 DIPEPTOID PRODRUGS AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-24 US disclosed
US-8741834-B2 Dipeptoid prodrugs and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-03 US disclosed
US-8703696-B2 Dipeptoid prodrugs and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-22 US disclosed
US-20110294718-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2011-12-01 US disclosed
US-20110294719-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF Bayer Schering Pharma 2011-12-01 US disclosed
US-20110237629-A1 AMINO ACID ESTER PRODRUGS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-29 US disclosed
US-7288571-B2 Thyroid receptor ligands and method II KARO BIO AB (SE) 2007-10-30 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 (8 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-20140206879-A1 DIPEPTOID PRODRUGS AND THEIR USE DPP4, DPP3, DPP7 CA2 1318/4885ALDH1A1 619/4885MAPT 3531/4885
US-20190077793-A1 BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF TNNI3, TNNT2, TNNC1 CA2 257/4885ALDH1A1 3628/4885MAPT 1956/4885
US-20240287123-A1 ANTIVIRAL NUCLEOSIDE ANALOGUES EBNA1BP2, RPL35, RPL7 CA2 4756/4885ALDH1A1 2249/4885MAPT 1536/4885
US-20110294719-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF DPP4, DPP3, DNPEP CA2 1601/4885ALDH1A1 1237/4885MAPT 4536/4885
US-10723720-B2 Bisamide sarcomere activating compounds and uses therof TNNI3, TNNT2, TNNC1 CA2 209/4885ALDH1A1 4627/4885MAPT 1123/4885
US-20110294718-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF DPP4, DPP3, DPP7 CA2 1582/4885ALDH1A1 579/4885MAPT 3949/4885
US-20110237629-A1 AMINO ACID ESTER PRODRUGS AND THE USE THEREOF DNPEP, AADAT, DAO CA2 1422/4885ALDH1A1 1058/4885MAPT 4371/4885
US-20150133364-A1 DIPEPTOID PRODRUGS AND THEIR USE DPP4, DPP3, DPP7 CA2 1318/4885ALDH1A1 619/4885MAPT 3531/4885

“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.