SCHEMBL3107407

SCHEMBL3107407

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 3/20 0.52
MMP1 P03956 2/20 0.52
MMP9 P14780 2/20 0.51
MMP8 P22894 2/20 0.51
MMP14 P50281 2/20 0.51
HPGDS O60760 4/20 0.51
LTA4H P09960 1/20 0.51
PPARG P37231 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48

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 0.90 MMP9 (0.56) FCER2MMP1MMP9MMP8MMP14
SCHEMBL8374049 0.88 FCER2 (0.50) FCER2MMP1MMP9MMP8MMP14
SCHEMBL596493 0.87 MME (0.59) MMP9MMP8MMP14LTA4H
SCHEMBL15810860 0.87 CTSS (0.61) FCER2MMP1HPGDSPPARG
SCHEMBL596491 0.87 MME (0.59) MMP9MMP8MMP14LTA4H
SCHEMBL15810862 0.87 CTSS (0.61) FCER2MMP1HPGDSPPARG
SCHEMBL6248471 0.87 CTSS (0.61) FCER2MMP1HPGDSPPARG
SCHEMBL3105957 0.84 CA12 (0.55) FCER2MMP1MMP9MMP8MMP14
SCHEMBL3103333 0.84 LTA4H (0.56) FCER2MMP1MMP9MMP8MMP14
SCHEMBL9109075 0.83 HPGDS (0.56) FCER2MMP1HPGDS

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 FCER2 4479/4885MMP1 4274/4885MMP9 4569/4885

“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.