SCHEMBL7125301

SCHEMBL7125301

CC(=O)NC1OC(=O)C(c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)C1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
PDK4 Q16654 1/20 0.43
CDK7 P50613 1/20 0.43
CDK13 Q14004 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
BRD4 O60885 1/20 0.40
GRM1 Q13255 9/20 0.40
GRM5 P41594 8/20 0.40
SOS1 Q07889 1/20 0.39
JAK1 P23458 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
WNT3A P56704 1/20 0.38
TNK2 Q07912 1/20 0.38
HTR6 P50406 1/20 0.37

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
SCHEMBL7126216 1.00 NAMPT (0.49) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL7117906 0.91 QDPR (0.39) NAMPTCDK7CDK13CDK12WNT3A
SCHEMBL7508337 0.91 QDPR (0.39) NAMPTCDK7CDK13CDK12WNT3A
SCHEMBL7122767 0.84 NAMPT (0.39) NAMPT
SCHEMBL7130227 0.84 NAMPT (0.39) NAMPT
SCHEMBL7123783 0.76 NAMPT (0.51) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL7514922 0.75 NAMPT (0.48) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL8310327 0.74
SCHEMBL22325022 0.74 NAMPT (0.71) NAMPTPDK4CDK7CDK13CDK12
SCHEMBL7122724 0.74 QDPR (0.40) NAMPTBRD4WNT3A

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-20030166684-A1 3-phenyl-furan-(5H)-2-one and dihydrofuran-2-one derivatives as antibacterial agents SYNGENTA LIMITED (GB) 2003-09-04 US disclosed
EP-0912561-B1 3-PHENYL-FURAN-(5H)-2-ONE AND DIHYDROFURAN-2-ONE DERIVATIVES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2002-12-04 EP disclosed
US-6110936-A A BACTERICIDE TREATING A BACTERIAL INFECTION IN A WARM BLOODED ANIMAL ZENECA LIMITED (GB) 2000-08-29 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 (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-20030166684-A1 3-phenyl-furan-(5H)-2-one and dihydrofuran-2-one derivatives as antibacterial agents CBR1, CBR3, CYP8B1 NAMPT 4578/4885PDK4 3977/4885CDK7 1408/4885

“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.