SCHEMBL5508581

SCHEMBL5508581

CC(Nc1cncnc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.42
HCAR2 Q8TDS4 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.36
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
CA2 P00918 4/20 0.34
CA1 P00915 3/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 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
SCHEMBL5508575 1.00 BCAT2 (0.42) BCAT2HCAR2ALDH1A1HPGDBCL2
SCHEMBL2160122 0.81 ALDH1A1 (0.41) BCAT2HCAR2ALDH1A1HPGDKDM4E
SCHEMBL756357 0.81 ALDH1A1 (0.41) BCAT2HCAR2ALDH1A1HPGDKDM4E
SCHEMBL2160129 0.81 ALDH1A1 (0.41) BCAT2HCAR2ALDH1A1HPGDKDM4E
SCHEMBL28633617 0.79 BCAT2 (0.35) BCAT2HCAR2ALDH1A1
SCHEMBL28633615 0.79 BCAT2 (0.35) BCAT2HCAR2ALDH1A1
SCHEMBL503440 0.78 FDPS (0.54) ALDH1A1HPGDKDM4E
SCHEMBL29417369 0.78 FDPS (0.54) ALDH1A1HPGDKDM4E
SCHEMBL44077 0.78 FDPS (0.54) ALDH1A1HPGDKDM4E
SCHEMBL30410840 0.78 HCAR2 (0.46) HCAR2ALDH1A1KDM4E

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
EP-1773877-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Bristol-Myers Squibb Company (US) 2007-04-18 EP claimed
WO-2006014287-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-09 WO claimed
US-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-07-04 US disclosed
US-20240150405-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES JANSSEN BIOTECH INC (US) 2024-05-09 US disclosed
US-11845808-B2 Peptide inhibitors of interleukin-23 receptor and their use to treat inflammatory diseases JANSSEN BIOTECH, INC. (US) 2023-12-19 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 (3 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-20240218014-A1 SYNTHESIS OF A CYCLIC PEPTIDE VIP, QPCT, PTMS BCAT2 75/4885HCAR2 4059/4885ALDH1A1 4766/4885
US-20240150405-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES IL23R, IL1RN, VIP BCAT2 2022/4885HCAR2 340/4885ALDH1A1 4574/4885
US-11845808-B2 Peptide inhibitors of interleukin-23 receptor and their use to treat inflammatory diseases IL23R, IL1RN, VIP BCAT2 2022/4885HCAR2 340/4885ALDH1A1 4574/4885

“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.