SCHEMBL10075619

SCHEMBL10075619

CN1C(=O)COc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc21

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.62
HTR6 P50406 1/20 0.49
PKM P14618 5/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 2/20 0.49
TP53 P04637 2/20 0.49

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
SCHEMBL10075475 0.85 MAPT (0.53) MAPTHTR6PKMALDH1A1TSHR
SCHEMBL10075477 0.82 SMN1; SMN2 (0.62) PKMALDH1A1TSHR
SCHEMBL10075620 0.82 PKM (0.60) MAPTPKMALDH1A1TSHRPOLB
SCHEMBL2594417 0.82 PKM (0.69) MAPTPKMALDH1A1POLBTP53
SCHEMBL10075480 0.82 MAPT (0.59) MAPTPKMALDH1A1POLB
SCHEMBL10075476 0.82 PKM (0.56) MAPTPKMALDH1A1POLBTP53
SCHEMBL10076055 0.81 PKM (0.50) MAPTPKMTSHRPOLBTP53
SCHEMBL10075472 0.81 ALDH1A1 (0.57) MAPTPKMALDH1A1POLBTP53
SCHEMBL15818506 0.80 PKM (0.58) MAPTPKMALDH1A1POLBTP53
SCHEMBL10075478 0.79 MAPT (0.64) MAPTPKMALDH1A1

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 MAPT 4478/4885HTR6 4236/4885PKM 5/4885
US-20160280697-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE PDK1, PDK2, PCK1 MAPT 3775/4885HTR6 4043/4885PKM 7/4885
US-20140179694-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA PCK1, PDK2, PFKP MAPT 4344/4885HTR6 3955/4885PKM 9/4885

“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.