SCHEMBL4073565

SCHEMBL4073565

C=CCCCCS(=O)(=O)CC#N

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 2/20 0.32
TRPA1 O75762 2/20 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
SCHEMBL4071715 0.94 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL11323118 0.80 TSHR (0.42) ALDH1A1ABCC4MAPTTSHRTRPA1
SCHEMBL20972793 0.78 TSHR (0.46) ALDH1A1ABCC4MAPTTSHRTRPA1
SCHEMBL19644547 0.78 TSHR (0.46) ALDH1A1ABCC4MAPTTSHRTRPA1
SCHEMBL11332774 0.73 TSHR (0.41) ALDH1A1ABCC4MAPTTSHRTRPA1
SCHEMBL4073173 0.72 CA2 (0.48) TSHR
SCHEMBL3976329 0.72
SCHEMBL11328103 0.71 TSHR (0.50) ALDH1A1ABCC4MAPTTSHR
SCHEMBL4081467 0.71 CA2 (0.52) TSHR
SCHEMBL4069895 0.71 CA2 (0.52) TSHR

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 ALDH1A1 66/4885ABCC4 280/4885MAPT 4680/4885

“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.