SCHEMBL3471408

SCHEMBL3471408

COC1C[C@@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.45
FABP7 O15540 2/20 0.44
KMT2A Q03164 2/20 0.39
AGTR2 P50052 3/20 0.39
CD274 Q9NZQ7 2/20 0.38
UCHL1 P09936 1/20 0.38
EPHX2 P34913 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
SCHEMBL30686120 1.00 FABP5 (0.45) FABP5FABP7KMT2AAGTR2CD274
SCHEMBL26763340 1.00 FABP5 (0.45) FABP5FABP7KMT2AAGTR2CD274
SCHEMBL30792913 1.00 FABP5 (0.45) FABP5FABP7KMT2AAGTR2CD274
SCHEMBL30792870 1.00 FABP5 (0.45) FABP5FABP7KMT2AAGTR2CD274
SCHEMBL27028777 1.00 FABP5 (0.45) FABP5FABP7KMT2AAGTR2CD274
SCHEMBL30861832 0.89 AGTR2 (0.42) FABP5FABP7KMT2AAGTR2EPHX2
SCHEMBL27222159 0.89 AGTR2 (0.42) FABP5FABP7KMT2AAGTR2EPHX2
SCHEMBL15083500 0.89 AGTR2 (0.42) FABP5FABP7KMT2AAGTR2EPHX2
SCHEMBL29540218 0.89 AGTR2 (0.42) FABP5FABP7KMT2AAGTR2EPHX2
SCHEMBL30896059 0.88 FABP5 (0.41) FABP5FABP7KMT2AAGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676702-B2 Methods for synthesizing amatoxin building block and amatoxins HEIDELBERG PHARMA GMBH (DE) 2017-06-13 US disclosed
US-9676702-B2 Methods for synthesizing amatoxin building block and amatoxins HEIDELBERG PHARMA GMBH (DE) 2017-06-13 US disclosed
US-9630907-B2 2017-04-25 US disclosed
US-9630907-B2 2017-04-25 US disclosed
US-20150210628-A1 METHODS FOR SYNTHESIZING AMATOXIN BUILDING BLOCK AND AMATOXINS HEIDELBERG PHARMA GMBH (DE) 2015-07-30 US disclosed
US-8691848-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-08 US disclosed
EP-2261234-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
EP-2261235-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
EP-2261232-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
EP-2261233-A2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-15 EP disclosed
US-20090048226-A1 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
EP-2011800-A2 Inhibitors of caspase Vertex Pharmaceuticals Incorporated (US) 2009-01-07 EP disclosed
US-7358273-B2 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-15 US disclosed
US-20030232986-A1 Inhibitors of caspases VERTEX PHARMACEUTICALS INCORPORATED 2003-12-18 US disclosed
US-6531474-B1 Treating inflammatory disease, osteoarthritis, glomerulonephritis, rheumatoid arthritis, psoriasis, graft vs. host disease, sepsis, or septic shock VERTEX PHARMACEUTICALS INCORPORATED 2003-03-11 US disclosed
EP-1064298-A2 INHIBITORS OF CASPASES Vertex Pharmaceuticals Incorporated (US) 2001-01-03 EP disclosed
WO-1999047545-A2 INHIBITORS OF CASPASES VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-09-23 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 (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-20090048226-A1 Inhibitors of caspases CASP1, APAF1, IRF3 FABP5 1614/4885FABP7 3485/4885KMT2A 4561/4885
US-20150210628-A1 METHODS FOR SYNTHESIZING AMATOXIN BUILDING BLOCK AND AMATOXINS MEP1B, VIP, NMBR FABP5 1630/4885FABP7 1461/4885KMT2A 2649/4885
US-20030232986-A1 Inhibitors of caspases CASP1, APAF1, IRF3 FABP5 1852/4885FABP7 3462/4885KMT2A 4589/4885

“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.