SCHEMBL22068145

SCHEMBL22068145

COC(=O)C1(C)CCN(C(=O)CCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)O)C(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.36
FURIN P09958 7/20 0.35
PRSS1 P07477 1/20 0.35
FOLH1 Q04609 1/20 0.35
CPB2 Q96IY4 1/20 0.34
POLB P06746 1/20 0.34
NOD1 Q9Y239 2/20 0.33
KMT2A Q03164 1/20 0.33
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL21781876 0.84 MAP1LC3B (0.37) FURINKMT2A
SCHEMBL20800167 0.84 KMT2A (0.42) C3AR1FURINPRSS1POLBNOD1
SCHEMBL21781878 0.84 MAP1LC3B (0.37) FURINKMT2A
SCHEMBL21781879 0.83 MAP1LC3B (0.37) FURINKMT2A
SCHEMBL20800175 0.79 GNPAT (0.49) C3AR1FURINFOLH1POLBNOD1
SCHEMBL26223141 0.77 C3AR1 (0.43) C3AR1FURINPRSS1FOLH1POLB
SCHEMBL21607789 0.77 C3AR1 (0.43) C3AR1FURINPRSS1FOLH1POLB
SCHEMBL29485129 0.77 NMT2 (0.43) C3AR1FURINFOLH1CPB2POLB
SCHEMBL19432348 0.76 KMT2A (0.41) FURINKMT2AITGB3ITGA2BEPHX2
SCHEMBL24193304 0.76 C3AR1 (0.42) C3AR1FURINPOLBNOD1EPHX2

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-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-12-28 US disclosed
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-06-11 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 (2 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-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor CD2, HAVCR2, CD4 C3AR1 572/4885FURIN 676/4885PRSS1 860/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 C3AR1 572/4885FURIN 676/4885PRSS1 860/4885

“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.