SCHEMBL10201861

SCHEMBL10201861

O=C(Cl)COC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
FABP5 Q01469 3/20 0.48
FABP7 O15540 2/20 0.48
EPHX2 P34913 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CASP3 P42574 2/20 0.39
HTR2A P28223 1/20 0.38
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL44676 0.88 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL10263237 0.86 FABP5 (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29503802 0.86 FABP5 (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL393445 0.83 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL30396315 0.83 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL13044481 0.82 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL15058849 0.82 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL27547 0.82 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29349891 0.82 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL20903881 0.81 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CA1

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 8 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-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
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 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 (2 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B KMT2A 4308/4885FABP5 1384/4885FABP7 2503/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B KMT2A 4308/4885FABP5 1384/4885FABP7 2503/4885

“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.