SCHEMBL6111141

SCHEMBL6111141

COC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]2C/C=C\C[C@H](N)C(=O)N21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.51
CASP8 Q14790 3/20 0.51
CASP3 P42574 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 2/20 0.43
MITF O75030 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.42
PDE4B Q07343 1/20 0.41
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FKBP1A P62942 1/20 0.38

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
SCHEMBL6111616 0.84 CASP1 (0.69) CASP1CASP8CASP3SMN1; SMN2NPC1
SCHEMBL9973496 0.80 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTMITF
SCHEMBL1300466 0.79 FKBP1A (0.48) CASP1CASP8CASP3SMN1; SMN2CYP2C19
SCHEMBL1300469 0.79 FKBP1A (0.48) CASP1CASP8CASP3SMN1; SMN2CYP2C19
SCHEMBL1300468 0.79 FKBP1A (0.48) CASP1CASP8CASP3SMN1; SMN2CYP2C19
SCHEMBL13883366 0.76 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL12305081 0.75 SMN1; SMN2 (0.44) CASP1CASP8CASP3SMN1; SMN2NPC1
SCHEMBL12306678 0.75 SMN1; SMN2 (0.44) CASP1CASP8CASP3SMN1; SMN2NPC1
SCHEMBL6089693 0.75 PDE4B (0.46) CASP1CASP8CASP3SMN1; SMN2NPC1
SCHEMBL6090154 0.75 PDE4B (0.46) CASP1CASP8CASP3SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138395-B2 Interleukin-1β converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY (US) 2006-11-21 US disclosed
US-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY 2004-01-22 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-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors IL1B, IL1RN, IL1R1 CASP1 41/4885CASP8 1129/4885CASP3 1731/4885

“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.