SCHEMBL6807052

SCHEMBL6807052

CC(C)(C)OC(=O)C1CCCN(S(=O)(=O)c2ccccn2)C(N)C1=NNC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
POLB P06746 2/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
PKM P14618 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CCR6 P51684 1/20 0.34
APLNR P35414 1/20 0.34
SMYD3 Q9H7B4 3/20 0.34
GLA P06280 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
CASP3 P42574 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.33
HCRTR1 O43613 1/20 0.32

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
SCHEMBL6807048 0.71 CTSK (0.42) KDM4EALDH1A1LMNAPKMHTT
SCHEMBL6807050 0.71 CTSK (0.42) KDM4EALDH1A1LMNAPKMHTT
SCHEMBL6206077 0.71 CTSK (0.42) KDM4EALDH1A1LMNAPKMHTT
SCHEMBL6206079 0.71 CTSK (0.42) KDM4EALDH1A1LMNAPKMHTT
SCHEMBL28736508 0.67 HSD11B1 (0.54) MMP13MMP9POLBKDM4EALDH1A1
SCHEMBL6810573 0.64 ALDH1A1 (0.33) ALDH1A1LMNAKMT2A
SCHEMBL5105404 0.63 ALOX5AP (0.42) KDM4EALDH1A1LMNAPKMHTT
SCHEMBL14131623 0.63 ALOX5AP (0.42) KDM4EALDH1A1LMNAPKMHTT
SCHEMBL5983474 0.62 CTSK (0.42) SMYD3ELOVL6CTSK
SCHEMBL4316467 0.62 CTSK (0.42) SMYD3ELOVL6CTSK

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-20040157828-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-08-12 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-20040157828-A1 Protease inhibitors CTSK, MMP13, CTSZ MMP13 2/4885MMP1 16/4885MMP9 14/4885

“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.