SCHEMBL7121304

SCHEMBL7121304

CC(=O)N[C@@H]1OC(=O)C(c2ccc(C3=CCN(S(C)(=O)=O)CC3)cc2)=C1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.40
CDK9 P50750 6/20 0.40
MMP2 P08253 4/20 0.40
MMP3 P08254 4/20 0.40
WNT3A P56704 1/20 0.39
SYK P43405 1/20 0.39
TDO2 P48775 1/20 0.38
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP14 P50281 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
KIT P10721 1/20 0.37
NAMPT P43490 1/20 0.37
BTK Q06187 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL7123785 0.81 MEN1 (0.41) CCNT1CDK9NAMPTALDH1A1
SCHEMBL7121302 0.79 NAMPT (0.34) MMP2NAMPTALDH1A1
SCHEMBL7123783 0.79 NAMPT (0.51) WNT3AKITNAMPT
SCHEMBL7122721 0.78 TRPV1 (0.40) LMNANAMPTALDH1A1
SCHEMBL7118661 0.77 NAMPT (0.37) NAMPTALDH1A1
SCHEMBL7127713 0.76 BRD4 (0.36) KIT
SCHEMBL7126174 0.75 QDPR (0.42) WNT3ANAMPT
SCHEMBL7118393 0.75 NAMPT (0.35) NAMPTALDH1A1
SCHEMBL7127949 0.74 NAMPT (0.43) NAMPT
SCHEMBL7118665 0.74 CCNT1 (0.39) CCNT1CDK9MMP2MMP3WNT3A

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 CCNT1 1733/4885CDK9 3654/4885MMP2 3124/4885

“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.