SCHEMBL949353

SCHEMBL949353

CC(C(=O)O)n1c(Cc2ccccc2)ccc(NC(=O)CCCc2ccccc2)c1=O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.62
IL1B P01584 2/20 0.62
NPC1 O15118 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.43
HDAC1 Q13547 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
KDM6B O15054 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
KDM4C Q9H3R0 1/20 0.42

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
SCHEMBL949978 0.93 CASP1 (0.69) CASP1IL1BNPC1MEN1KMT2A
SCHEMBL949344 0.85 CASP1 (0.60) CASP1IL1BNPC1HPGDSMN1; SMN2
SCHEMBL952135 0.84 CASP1 (0.58) CASP1IL1BNPC1HPGDSMN1; SMN2
SCHEMBL2800038 0.84 CASP1 (0.66) CASP1IL1BNPC1HPGDSMN1; SMN2
SCHEMBL8647504 0.83 MEN1 (0.50) CASP1IL1BNPC1MEN1KMT2A
SCHEMBL948946 0.82 CASP1 (0.52) CASP1IL1BNPC1SMN1; SMN2RAB9A
SCHEMBL27475184 0.80 CASP1 (0.70) CASP1IL1BNPC1MEN1KMT2A
SCHEMBL951246 0.80 CASP1 (0.54) CASP1IL1BNPC1HPGDSMN1; SMN2
SCHEMBL948869 0.79 ELANE (0.56) CASP1IL1BNPC1RAB9A
SCHEMBL949241 0.79 CASP1 (0.63) CASP1IL1BNPC1MEN1KMT2A

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 CASP1 5/4885IL1B 1/4885NPC1 655/4885

“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.