SCHEMBL752546

SCHEMBL752546

COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.63
KMT2A Q03164 1/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 1/20 0.54
CNR1 P21554 3/20 0.53
GFER P55789 1/20 0.53
KDM4E B2RXH2 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL752831 0.84 PKM (0.58) PKMKMT2AHTTALDH1A1GAA
SCHEMBL732936 0.81 GAA (0.76) PKMKMT2AALDH1A1GAACNR1
SCHEMBL751775 0.79 GAA (0.59) PKMKMT2AALDH1A1GAACNR1
SCHEMBL751873 0.79 POLB (0.58) PKMKMT2AALDH1A1GAA
SCHEMBL7071507 0.78 MAPT (0.59) PKMKMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL735495 0.78 GAA (0.69) PKMKMT2AALDH1A1GAACNR1
SCHEMBL752526 0.77 POLB (0.62) KMT2AALDH1A1GAA
SCHEMBL752755 0.77 CNR1 (0.58) PKMKMT2AALDH1A1GAACNR1
SCHEMBL28819237 0.76 YAP1 (0.65) PKMKMT2AALDH1A1GAA
SCHEMBL30754644 0.76 POLB (0.60) KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170234881-A1 METHODS OF DIAGNOSING AND TREATING CANCER INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-17 US disclosed
US-20170234881-A1 METHODS OF DIAGNOSING AND TREATING CANCER INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-17 US disclosed
WO-2016034742-A1 METHODS OF DIAGNOSING AND TREATING CANCER INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-03-10 WO disclosed
US-8138190-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2012-03-20 US disclosed
US-8138190-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2012-03-20 US disclosed
US-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES AMGEN INC. 2009-07-09 US disclosed
US-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES AMGEN INC. 2009-07-09 US disclosed
US-7524848-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2009-04-28 US disclosed
US-7524848-B2 Diaza heterocyclic amide compounds and their uses AMGEN INC. (US) 2009-04-28 US disclosed
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses AMGEN INC. 2007-10-25 US disclosed
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses AMGEN INC. 2007-10-25 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-20090176768-A1 DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES GPR119, GLP1R, INSR PKM 1084/4885KMT2A 531/4885HTT 954/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR PKM 1084/4885KMT2A 531/4885HTT 954/4885

“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.