SCHEMBL5453149

SCHEMBL5453149

CC(C)(C)OC(=O)N1CCC(CNC(=O)OC(C)(C)CS(=O)(=O)c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ TGFBR1 P36897 8/20 0.52
▸ ACKR3 P25106 1/20 0.50
▸ HTR6 P50406 3/20 0.49
▸ BCHE P06276 2/20 0.49
▸ NAMPT P43490 1/20 0.48
▸ GPR119 Q8TDV5 1/20 0.46
▸ STS P08842 1/20 0.46
▸ LIMK2 P53671 1/20 0.45
▸ ACACB O00763 1/20 0.44

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
SCHEMBL15392117 0.81 KDM4E (0.55) KDM4EPKMACKR3NAMPT
SCHEMBL13625750 0.81 KDM4E (0.55) KDM4EPKMACKR3NAMPT
SCHEMBL12723099 0.80 KDM4E (0.60) KDM4EPKMACKR3NAMPTGPR119
SCHEMBL3272146 0.80 KDM4E (0.60) KDM4EPKMACKR3NAMPTGPR119
SCHEMBL19706814 0.80 KDM4E (0.60) KDM4EPKMACKR3NAMPTGPR119
SCHEMBL13172555 0.78 GPR119 (0.53) KDM4EPKMTGFBR1GPR119STS
SCHEMBL27158621 0.77 KAT7 (0.56) KDM4EPKMTGFBR1ACKR3HTR6
SCHEMBL3285436 0.77 PKM (0.61) KDM4EPKMNAMPTACACB
SCHEMBL8444728 0.77 KDM4E (0.58) KDM4EPKMTGFBR1HTR6GPR119
SCHEMBL12628193 0.76 KDM4E (0.51) KDM4EPKMTGFBR1ACKR3HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 — — 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-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL KDM4E 4500/4885PKM 3536/4885TGFBR1 4608/4885

“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.

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