SCHEMBL22850232

SCHEMBL22850232

CC(=O)[C@@H](N)Cc1cncn1COCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
SLC1A1 P43005 1/20 0.39
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
SLC7A5 Q01650 1/20 0.38
NOS1 P29475 3/20 0.37
SLC15A1 P46059 2/20 0.37
ALDH1A1 P00352 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
PLK1 P53350 1/20 0.34
ANPEP P15144 1/20 0.34
RNPEP Q9H4A4 1/20 0.34
DNPEP Q9ULA0 1/20 0.34
TYR P14679 2/20 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
SCHEMBL5171581 0.91 SLC7A5 (0.47) CYP11B1CYP11B2SLC1A1ALPIPKM
SCHEMBL5912748 0.89 CYP11B1 (0.40) CYP11B1CYP11B2SLC1A1ALPIPKM
SCHEMBL5717739 0.89 CYP11B1 (0.40) CYP11B1CYP11B2SLC1A1ALPIPKM
SCHEMBL10448124 0.89 CYP11B1 (0.46) CYP11B1CYP11B2SLC1A1NOS1FNTA
SCHEMBL7431744 0.82 CYP11B1 (0.36) CYP11B1CYP11B2SLC1A1SLC7A5NOS1
SCHEMBL22850762 0.81 PLK1 (0.47) CYP11B1CYP11B2PLK1
SCHEMBL7278873 0.81 CYP11B1 (0.37) CYP11B1CYP11B2SLC1A1NOS1SLC15A1
SCHEMBL22850234 0.78 CYP11B1 (0.41) CYP11B1CYP11B2ALDH1A1FNTAFNTB
SCHEMBL8249276 0.76 ACE2 (0.60) CYP11B1CYP11B2
SCHEMBL1658524 0.76 ACE2 (0.60) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402983-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES JANSSEN BIOTECH, INC. 2022-12-22 US disclosed
WO-2020264187-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, VIRAL INFECTIONS, AND ALLERGIC CONDITIONS JANETKA JAMES (US) 2020-12-30 WO 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-20220402983-A1 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY DISEASES IL23R, IL1RN, VIP CYP11B1 3780/4885CYP11B2 3769/4885SLC1A1 2724/4885

“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.