SCHEMBL2801288

SCHEMBL2801288

C[C@@H](C(N)=O)N(C(=O)c1ncc[nH]1)C1CC(=O)OC1OCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.33
CASP1 P29466 4/20 0.32
CASP3 P42574 4/20 0.32
CASP7 P55210 4/20 0.32
CASP6 P55212 4/20 0.32
CASP8 Q14790 4/20 0.32
GLA P06280 1/20 0.32
CCKBR P32239 1/20 0.31
REN P00797 2/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL2800524 0.85 OPRM1 (0.33) TRPM8CASP1CASP3CASP7CASP6
SCHEMBL2802690 0.85 TRPM8 (0.32) TRPM8CASP1CASP3CASP7CASP6
SCHEMBL2799392 0.84 KMT2A (0.31) CASP1CASP3CASP7CASP6CASP8
SCHEMBL2800052 0.83 CASP1 (0.30) CASP1CASP3CASP7CASP6CASP8
SCHEMBL2799393 0.82 TRPM8 (0.34) TRPM8CASP1CASP3CASP7CASP6
SCHEMBL5350670 0.82 TRPM8 (0.32) TRPM8CASP1CASP3CASP7CASP6
SCHEMBL2800010 0.81 TNKS2 (0.32) TRPM8CASP1CASP3CASP7CASP6
SCHEMBL2800012 0.79 TRPM8 (0.33) TRPM8CASP1CASP3CASP7CASP6
SCHEMBL2799206 0.79 L3MBTL1 (0.37) CASP1CASP3CASP7CASP6CASP8
SCHEMBL949530 0.74 CASP3 (0.38) CASP1CASP3CASP7CASP6CASP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-7772366-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-10 US disclosed
US-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-7288624-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-30 US disclosed
US-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2002-07-25 US disclosed
US-6420522-B1 ENZYME INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2002-07-16 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 (3 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-20080070953-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 TRPM8 3450/4885CASP1 5/4885CASP3 542/4885
US-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1RN TRPM8 3541/4885CASP1 6/4885CASP3 555/4885
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 TRPM8 3450/4885CASP1 5/4885CASP3 542/4885

“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.