SCHEMBL7587435

SCHEMBL7587435

NCCCC[C@@H](C(=O)O)N(C(=O)CBr)C(=O)CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.46
RNPEP Q9H4A4 1/20 0.44
CPB2 Q96IY4 8/20 0.41
FOLH1 Q04609 1/20 0.36
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
CPB1 P15086 1/20 0.33
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLG P00747 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
SLC6A2 P23975 1/20 0.32
RECQL P46063 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRR1 P24046 2/20 0.31

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
SCHEMBL22442180 1.00 GSR (0.46) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL20788021 0.95 CPB2 (0.40) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL20788022 0.95 CPB2 (0.40) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL4299915 0.85 GSR (0.48) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL4299640 0.85 GSR (0.48) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL17077602 0.83 CPB2 (0.37) GSRRNPEPCPB2MEN1KMT2A
SCHEMBL22442197 0.82 GSR (0.46) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL22442198 0.82 GSR (0.46) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL22442204 0.82 GSR (0.46) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL22442201 0.82 GSR (0.46) GSRRNPEPCPB2FOLH1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200299675-A1 Methods and Compositions for Display of Macrocyclic Peptides UNIVERSITY OF ROCHESTER 2020-09-24 US claimed
WO-2023173084-A1 CYCLOPEPTIBODIES AND USES THEREOF UNIVERSITY OF ROCHESTER (US) 2023-09-14 WO disclosed
US-20200299675-A1 Methods and Compositions for Display of Macrocyclic Peptides UNIVERSITY OF ROCHESTER 2020-09-24 US disclosed
US-10385013-B2 Micro/nano materials, products obtained by covalently modifying surface of micro/nano materials with hydrophilic materials, and method for making same CHONGQING BOLANYING (BLY) BIOTECHNOLOGY CO., LTD. (CN) 2019-08-20 US disclosed
EP-3470443-A1 MICRO/NANOMATERIAL, PRODUCT THEREOF WITH SURFACE COVALENTLY MODIFIED WITH HYDROPHILIC MATERIAL, AND MANUFACTURING METHOD Chongqing Bolanying (BLY) Biotechnology Co., Ltd., China (CN) 2019-04-17 EP disclosed
US-20190077746-A1 MICRO/NANO MATERIALS, PRODUCTS OBTAINED BY COVALENTLY MODIFYING SURFACE OF MICRO/NANO MATERIALS WITH HYDROPHILIC MATERIALS, AND METHOD FOR MAKING SAME CHONGQING BOLANYING (BLY) BIOTECHNOLOGY CO., LTD. (CN) 2019-03-14 US disclosed
US-20020165365-A1 Synthetic catalyst for selective cleavage of protein and method for selective cleavage of protein using the same ARTZYME BIOTECH CORPORATION (KR) 2002-11-07 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 (4 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-20190077746-A1 MICRO/NANO MATERIALS, PRODUCTS OBTAINED BY COVALENTLY MODIFYING SURFACE OF MICRO/NANO MATERIALS WITH HYDROPHILIC MATERIALS, AND METHOD FOR MAKING SAME PHOSPHO1, PTMS, PAM GSR 3273/4885RNPEP 957/4885CPB2 1604/4885
US-10385013-B2 Micro/nano materials, products obtained by covalently modifying surface of micro/nano materials with hydrophilic materials, and method for making same PHOSPHO1, PTMS, PAM GSR 3273/4885RNPEP 957/4885CPB2 1604/4885
US-20200299675-A1 Methods and Compositions for Display of Macrocyclic Peptides SPOUT1, NGLY1, VIP GSR 4823/4885RNPEP 15/4885CPB2 296/4885
US-20020165365-A1 Synthetic catalyst for selective cleavage of protein and method for selective cleavage of protein using the same CPN1, RNPEP, ANPEP GSR 3730/4885RNPEP 2/4885CPB2 11/4885

“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.