SCHEMBL478003

SCHEMBL478003

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)C(=O)CCl

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.62
CASP1 P29466 2/20 0.51
BACE1 P56817 2/20 0.49
BACE2 Q9Y5Z0 2/20 0.49
OPRM1 P35372 4/20 0.47
OPRK1 P41145 1/20 0.47

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
SCHEMBL812941 0.90 CASP1 (0.61) OPRD1CASP1BACE1BACE2
SCHEMBL23931322 0.90 CASP1 (0.61) OPRD1CASP1BACE1BACE2
SCHEMBL29408005 0.88 OPRD1 (0.68) OPRD1CASP1BACE1BACE2OPRM1
SCHEMBL31404908 0.86 OPRD1 (0.66) OPRD1CASP1BACE1BACE2OPRM1
SCHEMBL4735755 0.85 OPRD1 (0.65) OPRD1CASP1BACE1BACE2OPRM1
SCHEMBL1170338 0.85 OPRD1 (0.60) OPRD1CASP1BACE1BACE2OPRM1
SCHEMBL29409609 0.85 OPRD1 (0.64) OPRD1CASP1BACE1BACE2OPRM1
SCHEMBL2037941 0.83 CASP1 (0.67) CASP1
SCHEMBL4735748 0.82 OPRD1 (0.61) OPRD1CASP1BACE1BACE2OPRM1
SCHEMBL30079821 0.81 OPRD1 (0.58) OPRD1BACE1BACE2OPRM1OPRK1

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048306-A1 PRODRUG OF AN ICE INHIBITOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-02-13 US disclosed
US-20180327449-A1 PRODRUG OF AN ICE INHIBITOR VERTEX PHARMACEUTICALS INCORPORATED 2018-11-15 US disclosed
US-9994613-B2 Prodrug of an ICE inhibitor VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-12 US disclosed
US-20170022249-A1 PRODRUG OF AN ICE INHIBITOR VERTEX PHARMACEUTICALS INCORPORATED 2017-01-26 US disclosed
US-9487555-B2 Prodrug of an ice inhibitor VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-08 US disclosed
US-9156880-B2 Prodrug of an ice inhibitor VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-10-13 US disclosed
US-20150284426-A1 PRODRUG OF AN ICE INHIBITOR VERTEX PHARMACEUTICALS INCORPORATED 2015-10-08 US disclosed
EP-2270005-B1 Prodrug of an ice inhibitor VERTEX PHARMA (US) 2015-07-08 EP disclosed
EP-2773341-A2 COMPOSITIONS COMPRISING NECROSIS INHIBITORS, SUCH AS NECROSTATINS, ALONE OR IN COMBINATION, FOR PROMOTING AXON REGENERATION AND NERVE FUNCTION, THEREBY TREATING CNS DISORDERS Massachusetts Eye & Ear Infirmary (US) 2014-09-10 EP disclosed
US-8691848-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-08 US disclosed
EP-0944645-A1 INHIBITORS OF INTERLEUKIN-1beta CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1999-09-29 EP disclosed
WO-1999047545-A2 INHIBITORS OF CASPASES VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-09-23 WO disclosed
EP-0942925-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1999-09-22 EP disclosed
WO-1999046248-A1 1,2-DIAZEPANE DERIVATIVES AS INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-09-16 WO disclosed
US-5874424-A Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-02-23 US disclosed
US-5843904-A Inhibitors of interleukin-1βconverting enzyme VERTEX PHARMACEUTICALS, INC. (US) 1998-12-01 US disclosed
EP-0869967-A2 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-10-14 EP disclosed
WO-1998024805-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-06-11 WO disclosed
WO-1998024804-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-06-11 WO disclosed
WO-1997022619-A2 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 WO 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 (4 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-20200048306-A1 PRODRUG OF AN ICE INHIBITOR CASP1, MCL1, IL1B OPRD1 2719/4885CASP1 1/4885BACE1 15/4885
US-20180327449-A1 PRODRUG OF AN ICE INHIBITOR CASP1, MCL1, IL1B OPRD1 2719/4885CASP1 1/4885BACE1 15/4885
US-20170022249-A1 PRODRUG OF AN ICE INHIBITOR CASP1, MCL1, IL1B OPRD1 2719/4885CASP1 1/4885BACE1 15/4885
US-20150284426-A1 PRODRUG OF AN ICE INHIBITOR CASP1, MCL1, IL1B OPRD1 2719/4885CASP1 1/4885BACE1 15/4885

“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.