SCHEMBL15713692

SCHEMBL15713692

O=C(c1ccc(NS(=O)(=O)c2cccc3nonc23)cc1)N1CC(O)(Cc2ccccc2)C1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 17/20 0.84
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL16084092 0.91 PKLR (1.00) PKLR
SCHEMBL9936551 0.83 PKLR (1.00) PKLR
SCHEMBL20036065 0.83 PKLR (0.74) PKLRKMT2A
SCHEMBL15713381 0.81 PKLR (0.84) PKLR
SCHEMBL15689514 0.81 PKLR (0.81) PKLR
SCHEMBL15713691 0.79 PKLR (0.64) PKLR
SCHEMBL15713676 0.79 PKLR (0.84) PKLR
SCHEMBL15689410 0.78 PKLR (0.84) PKLR
SCHEMBL16049579 0.78 PKLR (0.77) PKLR
SCHEMBL20036013 0.76 PKLR (0.65) PKLRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2014074848-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AND THEIR USE AS PKM2 MODULATORS AGIOS PHARMACEUTICALS, INC. (US) 2014-05-15 — — WO disclosed
US-20130196945-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2013-08-01 — — 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 (2 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 12/4885KMT2A 1116/4885
US-20130196945-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY DDOST, DSC1, SI PKLR 787/4885KMT2A 4639/4885

“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.

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