SCHEMBL31022161

SCHEMBL31022161

O=C(O)[C@H](Cc1ccc2ccccc2c1)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.57
ACE P12821 5/20 0.57
CPA1 P15085 2/20 0.57
ACE2 Q9BYF1 2/20 0.57
CA2 P00918 1/20 0.54
PIN1 Q13526 2/20 0.51
PPARG P37231 1/20 0.50
ALB P02768 1/20 0.49
IL2 P60568 1/20 0.49
MMP9 P14780 2/20 0.49
MMP8 P22894 2/20 0.49
TACR1 P25103 1/20 0.49
FCER2 P06734 1/20 0.48
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL2779293 0.85 PPARG (0.53) MMEACECPA1ACE2PPARG
SCHEMBL2779289 0.85 PPARG (0.53) MMEACECPA1ACE2PPARG
SCHEMBL24625336 0.83 MME (0.59) MMEACECPA1ACE2CA2
SCHEMBL18435353 0.83 MME (0.59) MMEACECPA1ACE2CA2
SCHEMBL29377272 0.83 MME (0.59) MMEACECPA1ACE2CA2
SCHEMBL10071066 0.83 MME (0.61) MMEACECPA1ACE2CA2
SCHEMBL8895051 0.83 MME (0.61) MMEACECPA1ACE2CA2
SCHEMBL805215 0.83 MME (0.61) MMEACECPA1ACE2CA2
SCHEMBL29697199 0.83 MME (0.59) MMEACECPA1ACE2CA2
SCHEMBL30498632 0.83 MME (0.61) MMEACECPA1ACE2CA2

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-20240199700-A1 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES PROTAGONIST THERAPEUTICS INC (US) 2024-06-20 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-20240199700-A1 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES IL23R, IL1RN, VIP MME 316/4885ACE 2124/4885CPA1 525/4885

“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.