SCHEMBL10154007

SCHEMBL10154007

CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PKM P14618 17/20 0.67
ALDH1A1 P00352 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.62
IDO1 P14902 1/20 0.61
PKLR P30613 1/20 0.61

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
SCHEMBL689118 0.86 PKM (0.64) PKMALDH1A1IDO1
SCHEMBL14089190 0.83 PKM (0.60) PKMALDH1A1L3MBTL1IDO1PKLR
SCHEMBL2586153 0.81 PKM (1.00) PKMALDH1A1L3MBTL1PKLR
SCHEMBL30114411 0.80 PKM (0.60) PKMALDH1A1IDO1PKLR
SCHEMBL2586707 0.80 PKM (0.60) PKMALDH1A1IDO1PKLR
SCHEMBL4712443 0.80 PKM (0.57) PKMALDH1A1L3MBTL1IDO1PKLR
SCHEMBL17980375 0.80 CA12 (0.58) PKMALDH1A1L3MBTL1IDO1PKLR
SCHEMBL2585274 0.79 PKM (1.00) PKMALDH1A1
SCHEMBL2593652 0.79 LMNA (0.58) PKMALDH1A1L3MBTL1
SCHEMBL1711251 0.79 PKM (1.00) PKMALDH1A1L3MBTL1PKLR

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
US-9708267-B2 Activators of human pyruvate kinase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-07-18 US disclosed
US-20150183744-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE US HEALTH (US) 2015-07-02 US disclosed
US-20150183744-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE US HEALTH (US) 2015-07-02 US disclosed
US-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICE (US) 2013-05-02 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 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-20150183744-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PDK3 PKM 6/4885ALDH1A1 940/4885L3MBTL1 508/4885
US-20130109672-A1 ACTIVATORS OF HUMAN PYRUVATE KINASE PDK2, PDK1, PKLR PKM 6/4885ALDH1A1 1009/4885L3MBTL1 501/4885
US-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA PKM 4499/4885ALDH1A1 3496/4885L3MBTL1 1818/4885

“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.