SCHEMBL752831

SCHEMBL752831

COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 0.58
SIGMAR1 Q99720 2/20 0.56
GAA P10253 4/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
NR3C1 P04150 1/20 0.53
HSD11B1 P28845 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CNR1 P21554 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 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
SCHEMBL732936 0.85 GAA (0.76) PKMGAAALDH1A1LMNAHSD11B1
SCHEMBL752546 0.84 PKM (0.63) PKMGAAALDH1A1HTTKMT2A
SCHEMBL752755 0.82 CNR1 (0.58) PKMGAAALDH1A1LMNAHSD11B1
SCHEMBL735495 0.81 GAA (0.69) PKMGAAALDH1A1LMNAHSD11B1
SCHEMBL751775 0.78 GAA (0.59) PKMGAAALDH1A1LMNAHSD11B1
SCHEMBL751873 0.78 POLB (0.58) PKMGAAALDH1A1LMNAHSD11B1
SCHEMBL752526 0.76 POLB (0.62) GAAALDH1A1LMNAHSD11B1MEN1
SCHEMBL30754644 0.75 POLB (0.60) GAAALDH1A1LMNAHSD11B1MEN1
SCHEMBL28819237 0.75 YAP1 (0.65) PKMGAAALDH1A1LMNAHSD11B1
SCHEMBL751728 0.75 ALDH1A1 (0.67) PKMGAAALDH1A1LMNAHTT

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 1084/4885SIGMAR1 1085/4885GAA 517/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR PKM 1084/4885SIGMAR1 1085/4885GAA 517/4885

“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.