SCHEMBL2702504

SCHEMBL2702504

COc1ccccc1N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.77
ALDH1A1 P00352 4/20 0.69
MAPT P10636 2/20 0.69
HTT P42858 2/20 0.69
NAMPT P43490 1/20 0.59
TSHR P16473 3/20 0.58
MEN1 O00255 2/20 0.58
POLB P06746 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PKLR P30613 3/20 0.57
HTR7 P34969 1/20 0.56
HCRTR1 O43613 1/20 0.56
RECQL P46063 1/20 0.55
EED O75530 1/20 0.54
REV1 Q9UBZ9 1/20 0.54
GHSR Q92847 1/20 0.53

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
SCHEMBL26810856 0.90 ALDH1A1 (0.76) PKMALDH1A1MAPTHTTNAMPT
SCHEMBL20036047 0.87 PKM (0.75) PKMALDH1A1MAPTHTTNAMPT
SCHEMBL2701145 0.87 PKM (1.00) PKMALDH1A1MAPTHTTPKLR
SCHEMBL27856225 0.87 PKM (0.71) PKMALDH1A1MAPTHTTNAMPT
SCHEMBL20035940 0.86 PKM (0.71) PKMALDH1A1MAPTHTTNAMPT
SCHEMBL2702266 0.84 PKM (0.93) PKMALDH1A1MAPTHTTPKLR
SCHEMBL2703016 0.84 ALDH1A1 (0.86) PKMALDH1A1MAPTHTTNAMPT
SCHEMBL28023893 0.84 NAMPT (0.61) PKMALDH1A1MAPTHTTNAMPT
SCHEMBL2702415 0.83 TSHR (0.63) PKMTSHRMEN1POLBKMT2A
SCHEMBL20036048 0.83 ALDH1A1 (0.69) PKMALDH1A1MAPTHTTNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12428376-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2025-09-30 US disclosed
US-20240360083-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2024-10-31 US disclosed
US-11866411-B2 Therapeutic compounds and compositions Agios Pharmaceutical, Inc. (US) 2024-01-09 US disclosed
US-RE49582-E1 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-RE49582-E1 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-RE49582-E1 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-20210198206-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2021-07-01 US disclosed
US-20210198206-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2021-07-01 US disclosed
US-10988448-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2021-04-27 US disclosed
US-10988448-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2021-04-27 US disclosed
US-8785450-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-8785450-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-8785450-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
CN-102481300-A Therapeutic compounds and compositions AGIOS PHARMACEUTICALS INC 2012-05-30 CN disclosed
EP-2448582-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Agios Pharmaceuticals, Inc. (US) 2012-05-09 EP disclosed
WO-2011002817-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 WO disclosed
WO-2011002817-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 WO disclosed
US-20100331307-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2010-12-30 US disclosed
US-20100331307-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2010-12-30 US disclosed
US-20100331307-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2010-12-30 US 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 (6 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-10988448-B2 Therapeutic compounds and compositions PDK1, PDK2, PDK3 PKM 6/4885ALDH1A1 1326/4885MAPT 2867/4885
US-20210198206-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 PKM 6/4885ALDH1A1 1326/4885MAPT 2867/4885
US-12428376-B2 Therapeutic compounds and compositions PDK1, PDK2, PDK3 PKM 6/4885ALDH1A1 1326/4885MAPT 2867/4885
US-20240360083-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 PKM 6/4885ALDH1A1 1326/4885MAPT 2867/4885
US-20100331307-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 PKM 6/4885ALDH1A1 1326/4885MAPT 2867/4885
US-11866411-B2 Therapeutic compounds and compositions PDK1, PDK2, PDK3 PKM 6/4885ALDH1A1 1326/4885MAPT 2867/4885

“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.