SCHEMBL10075477

SCHEMBL10075477

CN1C(=O)COc2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc21

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
PKM P14618 3/20 0.62
HPGD P15428 2/20 0.62
TAS2R14 Q9NYV8 2/20 0.62
TSHR P16473 2/20 0.62
ALDH1A1 P00352 4/20 0.60
LMNA P02545 9/20 0.59
HTT P42858 5/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
GAA P10253 2/20 0.54

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
SCHEMBL10075620 0.93 PKM (0.60) SMN1; SMN2PKMHPGDTAS2R14TSHR
SCHEMBL2594417 0.86 PKM (0.69) PKMALDH1A1KMT2AMEN1GAA
SCHEMBL10076055 0.85 PKM (0.50) SMN1; SMN2PKMHPGDTAS2R14TSHR
SCHEMBL10075472 0.85 ALDH1A1 (0.57) SMN1; SMN2PKMALDH1A1HTTKMT2A
SCHEMBL10075480 0.84 MAPT (0.59) SMN1; SMN2PKMALDH1A1LMNAHTT
SCHEMBL10075476 0.84 PKM (0.56) SMN1; SMN2PKMALDH1A1KMT2AMEN1
SCHEMBL10075478 0.83 MAPT (0.64) PKMHPGDALDH1A1LMNAKMT2A
SCHEMBL10075475 0.83 MAPT (0.53) PKMTSHRALDH1A1LMNAKMT2A
SCHEMBL10075619 0.82 MAPT (0.62) PKMTSHRALDH1A1
SCHEMBL15818506 0.81 PKM (0.58) SMN1; SMN2PKMALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280697-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC 2016-09-29 US disclosed
US-20160280697-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC 2016-09-29 US disclosed
US-9328077-B2 Bicyclic PKM2 activators AGIOS PHARMACEUTICALS, INC (US) 2016-05-03 US disclosed
US-9328077-B2 Bicyclic PKM2 activators AGIOS PHARMACEUTICALS, INC (US) 2016-05-03 US disclosed
EP-2655350-B1 BICYCLIC PKM2 ACTIVATORS AGIOS PHARMACEUTICALS INC (US) 2016-03-09 EP disclosed
US-9181231-B2 Pyruvate kinase activators for use for increasing lifetime of the red blood cells and treating anemia AGIOS PHARMACEUTICALS, INC (US) 2015-11-10 US disclosed
US-9181231-B2 Pyruvate kinase activators for use for increasing lifetime of the red blood cells and treating anemia AGIOS PHARMACEUTICALS, INC (US) 2015-11-10 US disclosed
US-20140179694-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA AGIOS PHARMACEUTICALS, INC (US) 2014-06-26 US disclosed
US-20140179694-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA AGIOS PHARMACEUTICALS, INC (US) 2014-06-26 US disclosed
US-20140011804-A1 BICYCLIC PKM2 ACTIVATORS AGIOS PHARMACEUTICALS, INC (US) 2014-01-09 US disclosed
US-20140011804-A1 BICYCLIC PKM2 ACTIVATORS AGIOS PHARMACEUTICALS, INC (US) 2014-01-09 US disclosed
WO-2012151440-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA AGIOS PHARMACEUTICALS, INC. (US) 2012-11-08 WO disclosed
WO-2012088314-A1 BICYCLIC PKM2 ACTIVATORS AGIOS PHARMACEUTICALS, INC. (US) 2012-06-28 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-20140011804-A1 BICYCLIC PKM2 ACTIVATORS PDK2, PDK1, PDK3 SMN1; SMN2 4500/4885PKM 5/4885HPGD 1043/4885
US-20160280697-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE PDK1, PDK2, PCK1 SMN1; SMN2 3053/4885PKM 7/4885HPGD 1522/4885
US-20140179694-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA PCK1, PDK2, PFKP SMN1; SMN2 3273/4885PKM 9/4885HPGD 468/4885

“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.