SCHEMBL952097

SCHEMBL952097

CC(C(=O)O)n1cccc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ELANE P08246 11/20 0.54
CASP3 P42574 1/20 0.46
IL1B P01584 1/20 0.46
CASP1 P29466 1/20 0.46
POLB P06746 1/20 0.46
CTRC Q99895 2/20 0.45
MAOB P27338 1/20 0.45
IL1RN P18510 1/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
MGLL Q99685 1/20 0.44

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
SCHEMBL1039440 0.92 NPC1 (0.54) NPC1RAB9AELANECASP3IL1B
SCHEMBL1039441 0.92 NPC1 (0.54) NPC1RAB9AELANECASP3IL1B
SCHEMBL23835788 0.90 NPC1 (0.58) NPC1RAB9AELANECASP3POLB
SCHEMBL8312981 0.88 ELANE (0.55) NPC1RAB9AELANECASP3CTRC
SCHEMBL4902533 0.86 NPC1 (0.53) NPC1RAB9AELANECASP3CASP1
SCHEMBL12273254 0.86 NPC1 (0.53) NPC1RAB9AELANECASP3CASP1
SCHEMBL27691483 0.85 NPC1 (0.51) NPC1RAB9AELANECASP3CASP1
SCHEMBL27691482 0.85 NPC1 (0.51) NPC1RAB9AELANECASP3CASP1
SCHEMBL8646687 0.81 NPC1 (0.62) NPC1RAB9AELANECASP3POLB
SCHEMBL950663 0.80 ELANE (0.55) NPC1RAB9AELANECASP3CASP1

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-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-20 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-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 NPC1 655/4885RAB9A 2305/4885ELANE 140/4885

“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.