SCHEMBL15713676

SCHEMBL15713676

O=C(c1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)N1CC(O)(Cc2ccccc2)C1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 20/20 0.84

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
SCHEMBL16084066 0.91 PKLR (1.00) PKLR
SCHEMBL15689514 0.85 PKLR (0.81) PKLR
SCHEMBL15713683 0.84 PKLR (0.67) PKLR
SCHEMBL15713381 0.83 PKLR (0.84) PKLR
SCHEMBL15713347 0.82 PKLR (0.83) PKLR
SCHEMBL15713345 0.80 PKLR (0.69) PKLR
SCHEMBL15713691 0.79 PKLR (0.64) PKLR
SCHEMBL9936551 0.79 PKLR (1.00) PKLR
SCHEMBL15713606 0.79 PKLR (0.81) PKLR
SCHEMBL15713692 0.79 PKLR (0.84) PKLR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104822672-B The purposes of therapeutic compound and composition as well as PKM2 conditioning agents 安吉奥斯医药品有限公司 2018-08-28 — — CN disclosed
US-9458132-B2 Therapeutic compounds and compositions and their use as PKM2 modulators AGIOS PHARMACEUTICALS, INC (US) 2016-10-04 — — US disclosed
US-9458132-B2 Therapeutic compounds and compositions and their use as PKM2 modulators AGIOS PHARMACEUTICALS, INC (US) 2016-10-04 — — US disclosed
US-20150307473-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AND THEIR USE AS PKM2 MODULATORS AGIOS PHARMACEUTICALS, INC (US) 2015-10-29 — — US disclosed
US-20150307473-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AND THEIR USE AS PKM2 MODULATORS AGIOS PHARMACEUTICALS, INC (US) 2015-10-29 — — US disclosed
CN-104822672-A Therapeutic compounds and compositions and their use as PKM2 modulators AGIOS PHARMACEUTICALS INC 2015-08-05 — — CN disclosed
WO-2014074848-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AND THEIR USE AS PKM2 MODULATORS AGIOS PHARMACEUTICALS, INC. (US) 2014-05-15 — — 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 (1 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-20150307473-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AND THEIR USE AS PKM2 MODULATORS PDK1, PDK2, PDK3 PKLR 12/4885

“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.

Send feedback