SCHEMBL751900

SCHEMBL751900

CC(C)(C)c1ccc(S(=O)(=O)N2CCCN(C(=O)C3CCCCC3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
NPSR1 Q6W5P4 1/20 0.67
CNR2 P34972 2/20 0.61
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
CNR1 P21554 3/20 0.60
EPHX2 P34913 1/20 0.59
HSD11B1 P28845 1/20 0.58

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
SCHEMBL752692 0.96 ALDH1A1 (0.75) ALDH1A1NPSR1CNR2LMNAGAA
SCHEMBL752406 0.95 NPC1 (0.64) ALDH1A1NPSR1CNR2LMNAGAA
SCHEMBL751867 0.95 ALDH1A1 (0.73) ALDH1A1NPSR1L3MBTL1NPC1RAB9A
SCHEMBL735184 0.93 L3MBTL1 (0.70) ALDH1A1NPSR1LMNAGAAL3MBTL1
SCHEMBL751747 0.90 CNR1 (0.69) ALDH1A1NPSR1LMNAGAAL3MBTL1
SCHEMBL751729 0.83 ALDH1A1 (1.00) ALDH1A1NPSR1LMNAGAAL3MBTL1
SCHEMBL12550418 0.83 LMNA (0.67) ALDH1A1LMNAGAAHSD11B1
SCHEMBL751885 0.80 CNR1 (0.61) ALDH1A1NPSR1CNR2CNR1EPHX2
SCHEMBL4402433 0.79 LMNA (0.90) ALDH1A1LMNAGAAHSD11B1
SCHEMBL12550181 0.79 LMNA (0.60) LMNAGAAEPHX2HSD11B1

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 12 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
WO-2007111921-A1 1-PHENYLSULFONYL-DIAZA HETEROCYCLIC AMIDE COMPOUNDS AND THEIR USES AS MODULATORS OF HYDROXSTEROID DEHYDROGENASES AMGEN INC. (US) 2007-10-04 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 (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 ALDH1A1 655/4885NPSR1 632/4885CNR2 368/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR ALDH1A1 655/4885NPSR1 632/4885CNR2 368/4885

“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.