SCHEMBL31199016

SCHEMBL31199016

C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.65
GNPAT O15228 1/20 0.58
CTRB1 P17538 3/20 0.53
MMP1 P03956 1/20 0.53
MMP8 P22894 1/20 0.53
FOLH1 Q04609 2/20 0.51
HPGD P15428 1/20 0.51
MME P08473 2/20 0.50
BACE1 P56817 1/20 0.50
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50

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
SCHEMBL29411666 0.95 NAALAD2 (0.65) NAALAD2CTRB1MMEBACE1ACE
SCHEMBL30658570 0.93 NAALAD2 (0.56) NAALAD2GNPATMMP1MMP8MME
SCHEMBL38657669 0.91 BACE1 (0.59) NAALAD2MMEBACE1
SCHEMBL29538789 0.89 BACE1 (0.54) NAALAD2BACE1
SCHEMBL29702065 0.89 MME (0.61) GNPATCTRB1MMEACECPA1
SCHEMBL30692726 0.88 NAALAD2 (0.67) NAALAD2GNPATMMP1MMP8FOLH1
SCHEMBL29892410 0.88 NAALAD2 (0.67) NAALAD2GNPATFOLH1HPGDBACE1
SCHEMBL30533128 0.88 NAALAD2 (0.50) NAALAD2GNPATCTRB1MMP1MMP8
SCHEMBL30193491 0.88 NAALAD2 (0.60) NAALAD2GNPATBACE1
SCHEMBL30799469 0.87 MME (0.60) GNPATCTRB1MMEACECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376151-A1 STAPLED PEPTIDES AND METHODS THEREOF PARABILIS MEDICINES, INC. 2024-11-14 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 (1 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-20240376151-A1 STAPLED PEPTIDES AND METHODS THEREOF VIP, IAPP, GLP1R NAALAD2 1140/4885GNPAT 4174/4885CTRB1 1526/4885

“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.