Sugi Predict

Sugi Predict / Compounds / SCHEMBL2800524

SCHEMBL2800524

SCHEMBL2800524

C[C@@H](C(N)=O)N(C(=O)c1ccc[nH]1)C1CC(=O)OC1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.33
▸ OPRD1 P41143 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ CASP3 P42574 2/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ CASP6 P55212 2/20 0.33
▸ CASP8 Q14790 2/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ ALOX5 P09917 2/20 0.32
▸ CCKBR P32239 1/20 0.32

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
SCHEMBL2801288 0.85 TRPM8 (0.33) CASP1CASP3CASP7CASP6CASP8
SCHEMBL2800012 0.85 TRPM8 (0.33) CASP1CASP3CASP7CASP6CASP8
SCHEMBL5350670 0.84 TRPM8 (0.32) CASP1CASP3CASP7CASP6CASP8
SCHEMBL2799393 0.82 TRPM8 (0.34) CASP1CASP3CASP7CASP6CASP8
SCHEMBL2802690 0.82 TRPM8 (0.32) CASP1CASP3CASP7CASP6CASP8
SCHEMBL2800010 0.82 TNKS2 (0.32) CASP1CASP3CASP7CASP6CASP8
SCHEMBL2799206 0.81 L3MBTL1 (0.37) CASP1CASP3CASP7CASP6CASP8
SCHEMBL2799392 0.81 KMT2A (0.31) CASP1CASP3CASP7CASP6CASP8
SCHEMBL2800052 0.80 CASP1 (0.30) CASP1CASP3CASP7CASP6CASP8
SCHEMBL948808 0.72 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 OPRM1 3968/4885OPRD1 3475/4885OPRK1 2782/4885
US-20020099042-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1RN OPRM1 3971/4885OPRD1 3498/4885OPRK1 2762/4885
US-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 OPRM1 3968/4885OPRD1 3475/4885OPRK1 2782/4885

“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.