SCHEMBL19873613

SCHEMBL19873613

O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccccc2B(O)O)CC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 17/20 0.70
PKLR P30613 10/20 0.70
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.66
HTT P42858 2/20 0.64
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
LMNA P02545 2/20 0.62
CYP2C19 P33261 1/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TSHR P16473 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59

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
SCHEMBL1710921 0.85 PKM (0.73) PKMPKLRNPC1RAB9AL3MBTL1
SCHEMBL1722758 0.83 PKM (1.00) PKMPKLRNPC1RAB9AHTT
SCHEMBL1722816 0.82 PKM (1.00) PKMPKLRNPC1RAB9AL3MBTL1
SCHEMBL1725568 0.82 PKM (1.00) PKMPKLRNPC1RAB9AHTT
SCHEMBL1722730 0.80 L3MBTL1 (1.00) PKMPKLRNPC1RAB9AL3MBTL1
SCHEMBL1711139 0.79 PKM (0.72) PKMPKLRNPC1RAB9AL3MBTL1
SCHEMBL1722929 0.77 PKM (0.72) PKMPKLRNPC1RAB9AL3MBTL1
SCHEMBL1722951 0.77 PKM (1.00) PKMPKLRNPC1RAB9AHTT
SCHEMBL2950538 0.77 PKM (1.00) PKMPKLRNPC1RAB9AL3MBTL1
SCHEMBL1722916 0.76 PKM (1.00) PKMPKLRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3372230-B1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA AGIOS PHARMACEUTICALS INC (US) 2020-08-12 EP disclosed
EP-3372230-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA Agios Pharmaceuticals, Inc. (US) 2018-09-12 EP disclosed
EP-2704719-B1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA AGIOS PHARMACEUTICALS INC (US) 2018-02-21 EP disclosed