SCHEMBL7121158

SCHEMBL7121158

CC(=O)N[C@@H]1OC(=O)C(c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)c(F)c2)=C1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.45
NAMPT P43490 1/20 0.43
JAK1 P23458 1/20 0.42
GRM5 P41594 6/20 0.41
GRM1 Q13255 6/20 0.41
HTR6 P50406 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
WDR5 P61964 2/20 0.40
WNT3A P56704 1/20 0.40
CNR1 P21554 1/20 0.40
TNF P01375 1/20 0.39
ELANE P08246 1/20 0.39
SCN9A Q15858 1/20 0.38
CDK7 P50613 1/20 0.38
CDK13 Q14004 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
CDK9 P50750 1/20 0.38

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
SCHEMBL7123783 0.89 NAMPT (0.51) PDK4NAMPTJAK1GRM5GRM1
SCHEMBL7117917 0.86 CCNT1 (0.39) NAMPTJAK1CDK9
SCHEMBL8445102 0.78 PDK4 (0.44) PDK4NAMPTJAK1GRM5GRM1
SCHEMBL7126966 0.77 CCNT1 (0.37) NAMPTHTR6PRMT5WNT3ACDK9
SCHEMBL27025947 0.75 GRM1 (0.53) PDK4NAMPTJAK1GRM5GRM1
SCHEMBL27025873 0.75 GRM1 (0.51) PDK4NAMPTJAK1GRM5GRM1
SCHEMBL1199494 0.75 GRM5 (0.55) PDK4NAMPTGRM5GRM1HTR6
SCHEMBL13993111 0.74 GRM1 (0.57) PDK4NAMPTJAK1GRM5GRM1
SCHEMBL1200092 0.74 GRM1 (0.50) PDK4NAMPTJAK1GRM5GRM1
SCHEMBL7123785 0.74 MEN1 (0.41) NAMPTCNR1CDK9

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
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-6350775-B1 AGAINST GRAMPOSITIVE BACTERIA ZENECA LIMITED (GB) 2002-02-26 US 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 PDK4 3977/4885NAMPT 4578/4885JAK1 4140/4885

“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.