SCHEMBL3103333

SCHEMBL3103333

CC(C)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
FCER2 P06734 4/20 0.53
MMP1 P03956 2/20 0.53
HPGDS O60760 3/20 0.49
MMP9 P14780 2/20 0.49
MMP8 P22894 2/20 0.49
MMP14 P50281 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ACE P12821 1/20 0.48
MMP3 P08254 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL19584939 0.87 MMP9 (0.56) FCER2MMP1HPGDSMMP9MMP8
SCHEMBL3107407 0.84 FCER2 (0.52) LTA4HFCER2MMP1HPGDSMMP9
SCHEMBL14269021 0.84 FCER2 (0.62) FCER2MMP1ACE
SCHEMBL15851264 0.84 FCER2 (0.62) FCER2MMP1ACE
SCHEMBL15851263 0.84 FCER2 (0.62) FCER2MMP1ACE
SCHEMBL8374049 0.82 FCER2 (0.50) LTA4HFCER2MMP1HPGDSMMP9
SCHEMBL3105957 0.82 CA12 (0.55) LTA4HFCER2MMP1HPGDSMMP9
SCHEMBL15810862 0.81 CTSS (0.61) FCER2MMP1HPGDS
SCHEMBL1431724 0.81 FCER2 (0.51) LTA4HFCER2MMP1HPGDSNPC1
SCHEMBL13707917 0.81 FCER2 (0.51) LTA4HFCER2MMP1HPGDSNPC1

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-7732605-B2 Synthesis of diketopiperazines NEREUS PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
US-7732605-B2 Synthesis of diketopiperazines NEREUS PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
US-7732605-B2 Synthesis of diketopiperazines NEREUS PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
US-20060235226-A1 Synthesis of diketopiperazines BEYONDSPRING PHARMACEUTICALS, INC. 2006-10-19 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-20060235226-A1 Synthesis of diketopiperazines DHPS, COASY, TKT LTA4H 2059/4885FCER2 4479/4885MMP1 4274/4885

“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.