SCHEMBL12450657

SCHEMBL12450657

C[C@H](NC(=O)c1ncc[nH]1)C(=O)NCC=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.48
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
FPR2 P25090 5/20 0.33
FFAR2 O15552 1/20 0.33
PTGES O14684 5/20 0.33
PSMB11 A5LHX3 1/20 0.32
PSMA7 O14818 1/20 0.32
PSMB1 P20618 1/20 0.32
PSMA1 P25786 1/20 0.32
PSMA2 P25787 1/20 0.32
PSMA3 P25788 1/20 0.32
PSMA4 P25789 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB9 P28065 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
SCHEMBL948204 0.78 HSPA5 (0.42) HSPA5
SCHEMBL8764257 0.78 HSPA5 (0.42) HSPA5
SCHEMBL1509747 0.77 HSPA5 (0.50) HSPA5NPC1RAB9A
SCHEMBL27558441 0.77 HSPA5 (0.50) HSPA5NPC1RAB9A
SCHEMBL12724861 0.75 HSPA5 (0.53) HSPA5NPC1RAB9AFPR2SMN1; SMN2
SCHEMBL12450659 0.75 KDM4E (0.44) HDAC1
SCHEMBL8890772 0.73 HSPA5 (0.49) HSPA5NPC1RAB9AMMP1MMP3
SCHEMBL8890777 0.73 HSPA5 (0.49) HSPA5NPC1RAB9AMMP1MMP3
SCHEMBL11252147 0.71 PRMT5 (0.47) HSPA5NPC1RAB9APRMT5WDR77
SCHEMBL12450681 0.71 MMP2 (0.39) NPC1RAB9ASMN1; SMN2

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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 HSPA5 1786/4885NPC1 655/4885RAB9A 2305/4885

“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.