SCHEMBL751747

SCHEMBL751747

CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.69
PKM P14618 2/20 0.68
ALDH1A1 P00352 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.62
NPSR1 Q6W5P4 1/20 0.61
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
HSD11B1 P28845 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
LMNA P02545 2/20 0.58
GAA P10253 1/20 0.58
F13A1 P00488 1/20 0.58
TGM2 P21980 1/20 0.58
TGM1 P22735 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
SCHEMBL752406 0.95 NPC1 (0.64) CNR1PKMALDH1A1L3MBTL1NPSR1
SCHEMBL751867 0.95 ALDH1A1 (0.73) CNR1PKMALDH1A1L3MBTL1NPSR1
SCHEMBL735184 0.95 L3MBTL1 (0.70) CNR1PKMALDH1A1L3MBTL1NPSR1
SCHEMBL752692 0.94 ALDH1A1 (0.75) CNR1PKMALDH1A1L3MBTL1NPSR1
SCHEMBL751900 0.90 ALDH1A1 (0.70) CNR1ALDH1A1L3MBTL1NPSR1HSD11B1
SCHEMBL752401 0.86 CNR1 (0.62) CNR1PKMALDH1A1L3MBTL1NPSR1
SCHEMBL751854 0.85 ALDH1A1 (0.87) CNR1PKMALDH1A1L3MBTL1NPSR1
SCHEMBL12169384 0.83 LMNA (0.65) ALDH1A1MEN1KMT2AHSD11B1LMNA
SCHEMBL5311528 0.82 CNR1 (0.74) CNR1PKMALDH1A1L3MBTL1NPSR1
SCHEMBL752834 0.82 LMNA (0.63) ALDH1A1MEN1KMT2AHSD11B1LMNA

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 CNR1 281/4885PKM 1084/4885ALDH1A1 655/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR CNR1 281/4885PKM 1084/4885ALDH1A1 655/4885

“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.