SCHEMBL4073558

SCHEMBL4073558

N#CCS(=O)(=O)CC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSH P09668 1/20 0.32
CHRM5 P08912 2/20 0.31
ADRA2C P18825 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4080574 0.94
SCHEMBL4255696 0.89
SCHEMBL17376609 0.80 CNR2 (0.33)
SCHEMBL9623360 0.77 CHRM5 (0.36) CHRM5ADRA2CCHRM2CHRM4CHRM1
SCHEMBL14378258 0.73 CYP1A2 (0.41) CHRM5ADRA2CCHRM2CHRM4CHRM1
SCHEMBL2486590 0.72 PDE8B (0.36) ALDH1A1MAPTSMN1; SMN2
SCHEMBL3055263 0.71 CHRM5 (0.34) CHRM5ADRA2CCHRM2CHRM4CHRM1
SCHEMBL11777696 0.71 CTSK (0.36) CTSKCTSLCTSBCTSH
Acetonitrile SCHEMBL28177082 0.70 CYP1A2 (0.42) CTSKCTSLCTSBCHRM5ADRA2C
SCHEMBL4071125 0.70 ALDH1A1 (0.32) CTSKCTSBALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625112-B1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2009-07-22 EP disclosed
US-20060128662-A1 Novel compounds for treatment of obesity NOVO NORDISK A/S (DK) 2006-06-15 US disclosed
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 EP disclosed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 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 (1 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-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 CTSK 3488/4885CTSL 3976/4885CTSB 2927/4885

“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.