SCHEMBL22010922

SCHEMBL22010922

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AAK1 Q2M2I8 1/20 0.35
GPR35 Q9HC97 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MMP8 P22894 1/20 0.34
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
KDR P35968 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL31033305 1.00 HSD17B10 (0.43) HSD17B10KDM4EGAACYP1A2CYP3A4
SCHEMBL24923394 0.85 CDK1 (0.33) HSD17B10KDM4EGAACYP1A2CYP3A4
SCHEMBL21963991 0.84 THRB (0.33) HSD17B10KDM4EGAACYP1A2CYP3A4
SCHEMBL22010535 0.83 LDHA (0.37) HSD17B10KDM4EMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL21963994 0.82 LDHA (0.37) HSD17B10KDM4EMEN1KMT2ANPC1
SCHEMBL31033266 0.79 HSD17B10 (0.42) HSD17B10KDM4EGAACYP1A2CYP3A4
SCHEMBL28606693 0.78 HSD17B10 (0.42) HSD17B10KDM4EGAACYP1A2CYP3A4
SCHEMBL22011048 0.77 HSD17B10 (0.42) HSD17B10KDM4EGAACYP1A2CYP3A4
SCHEMBL1585857 0.75 CYP1A2 (0.48) HSD17B10KDM4EGAACYP1A2CYP3A4
SCHEMBL31497987 0.74 KDM4E (0.45) HSD17B10KDM4EGAACYP1A2CYP3A4

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.