SCHEMBL751729

SCHEMBL751729

Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
NPC1 O15118 1/20 0.78
RAB9A P51151 1/20 0.78
CNR1 P21554 3/20 0.76
NPSR1 Q6W5P4 1/20 0.76
L3MBTL1 Q9Y468 2/20 0.70
POLB P06746 1/20 0.68
PKM P14618 1/20 0.64
LMNA P02545 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
USP2 O75604 1/20 0.64
GAA P10253 1/20 0.64
TSHR P16473 1/20 0.63
F13A1 P00488 1/20 0.62
TGM2 P21980 1/20 0.62
TGM1 P22735 1/20 0.62
MAPT P10636 1/20 0.61
MAPK1 P28482 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
SCHEMBL751854 0.93 ALDH1A1 (0.87) ALDH1A1NPC1RAB9ACNR1NPSR1
SCHEMBL4271711 0.86 CNR1 (1.00) ALDH1A1NPC1RAB9ACNR1NPSR1
SCHEMBL752692 0.86 ALDH1A1 (0.75) ALDH1A1CNR1NPSR1L3MBTL1PKM
SCHEMBL751867 0.84 ALDH1A1 (0.73) ALDH1A1NPC1RAB9ACNR1NPSR1
SCHEMBL751900 0.83 ALDH1A1 (0.70) ALDH1A1NPC1RAB9ACNR1NPSR1
SCHEMBL735184 0.82 L3MBTL1 (0.70) ALDH1A1NPC1RAB9ACNR1NPSR1
SCHEMBL4270641 0.80 CNR1 (0.69) ALDH1A1CNR1NPSR1PKMLMNA
SCHEMBL5311528 0.79 CNR1 (0.74) ALDH1A1CNR1NPSR1L3MBTL1PKM
SCHEMBL4267485 0.78 CNR1 (1.00) ALDH1A1CNR1NPSR1L3MBTL1
SCHEMBL4274698 0.78 CNR1 (0.72) ALDH1A1NPC1CNR1NPSR1L3MBTL1

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 ALDH1A1 655/4885NPC1 2079/4885RAB9A 96/4885
US-20070249626-A1 Diaza heterocyclic amide compounds and their uses GPR119, GLP1R, INSR ALDH1A1 655/4885NPC1 2079/4885RAB9A 96/4885

“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.