SCHEMBL22010482

SCHEMBL22010482

CCOC(=O)C(C)(CO)CNc1cc(Br)cnc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.35
GAA P10253 4/20 0.34
HSD17B10 Q99714 4/20 0.34
MAPT P10636 4/20 0.33
POLB P06746 3/20 0.33
KDM4E B2RXH2 2/20 0.33
THRB P10828 1/20 0.33
FBP1 P09467 2/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RECQL P46063 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
CRHBP P24387 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
SCHEMBL31033297 1.00 GLA (0.35) GLAGAAHSD17B10MAPTPOLB
SCHEMBL21963967 0.86 GAA (0.33) GAAMAPTPOLBTHRBALDH1A1
SCHEMBL31497985 0.84 MAPT (0.35) GLAGAAHSD17B10MAPTPOLB
SCHEMBL31497995 0.84 GLA (0.40) GLAGAAHSD17B10MAPTPOLB
SCHEMBL31497993 0.82 MAPT (0.33) GLAGAAHSD17B10MAPTPOLB
SCHEMBL31497991 0.82 MAPT (0.33) GLAGAAHSD17B10MAPTPOLB
SCHEMBL28612741 0.81 MAPT (0.36) GLAGAAHSD17B10MAPTPOLB
SCHEMBL22010910 0.80 CYP2C19 (0.40) GAAMAPTPOLBALDH1A1KMT2A
SCHEMBL21963737 0.79 CYP2C19 (0.39) GAAMAPTPOLBALDH1A1KMT2A
SCHEMBL31033301 0.78 POLB (0.33) GAAMAPTPOLBKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-02-02 US disclosed
CN-113272302-A Antibiotic compounds, process for their manufacture, pharmaceutical compositions containing them and their use 德彪药业国际股份公司 2021-08-17 CN disclosed
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 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-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF GMPS, GNE, GANC GLA 59/4885GAA 50/4885HSD17B10 578/4885

“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.