SCHEMBL647269

SCHEMBL647269

C=CCOC(=O)NC(CC(=O)O)C(O)COC(=O)c1ccccc1Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 14/20 0.48
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL1410130 0.88 ADRB2 (0.44) CASP1MEN1MAPK1KMT2AADRB2
SCHEMBL1410128 0.88 ADRB2 (0.44) CASP1MEN1MAPK1KMT2AADRB2
SCHEMBL646998 0.83 CASP1 (0.53) CASP1ADRB2ADRB1ADRB3CYP3A4
SCHEMBL11121490 0.78 CYP3A4 (0.68) MEN1MAPK1KMT2AADRB2ADRB1
SCHEMBL646188 0.78 CASP1 (0.44) CASP1
SCHEMBL644763 0.76 ADRB2 (0.44) CASP1ADRB2ADRB1ADRB3
SCHEMBL10201585 0.73 ADRB2 (0.46) CASP1MEN1KMT2AADRB2ADRB1
SCHEMBL10201581 0.71 ADRB2 (0.48) CASP1MAPK1ADRB2ADRB1ADRB3
SCHEMBL645196 0.71 CASP1 (0.45) CASP1
SCHEMBL9360315 0.70 CYP3A4 (0.62) MEN1MAPK1KMT2AADRB2ADRB1

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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885MEN1 2742/4885MAPK1 2371/4885

“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.