SCHEMBL22011048

SCHEMBL22011048

CCOC(=O)C(O)C(C)Nc1cc(Br)cnc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.40
GPR35 Q9HC97 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
OPRK1 P41145 4/20 0.35
CPB2 Q96IY4 1/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 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
SCHEMBL22011055 0.83 LDHA (0.39) HSD17B10KDM4EPOLBKMT2AMEN1
SCHEMBL21963717 0.82 CYP1A2 (0.35) GAAGPR35NPSR1RXFP1OPRK1
SCHEMBL28618882 0.78 HSD17B10 (0.41) HSD17B10KDM4EGAAGPR35NPSR1
SCHEMBL1585857 0.78 CYP1A2 (0.48) HSD17B10KDM4EGAAGPR35NPSR1
SCHEMBL22010922 0.77 HSD17B10 (0.43) HSD17B10KDM4EGAAGPR35NPSR1
SCHEMBL31033305 0.77 HSD17B10 (0.43) HSD17B10KDM4EGAAGPR35NPSR1
SCHEMBL28609306 0.76 KMT2A (0.40) HSD17B10KDM4EPOLBKMT2AMEN1
SCHEMBL27886439 0.75 HSD17B10 (0.45) HSD17B10KDM4EGAAGPR35NPSR1
SCHEMBL19836479 0.74 KMT2A (0.50) KDM4EPOLBKMT2AMEN1HTT
SCHEMBL22010774 0.73 KMT2A (0.37) HSD17B10KDM4EGAAPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113272302-B Antibiotic compound, method for producing same, pharmaceutical composition containing same, and use thereof 德彪药业国际股份公司 2024-08-13 CN disclosed
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 HSD17B10 578/4885KDM4E 2556/4885GAA 50/4885

“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.