SCHEMBL4081397

SCHEMBL4081397

N#CCS(=O)(=O)N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
GAA P10253 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 2/20 0.38
MAPT P10636 5/20 0.38
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 3/20 0.33
CYP17A1 P05093 1/20 0.33
PKM P14618 1/20 0.33
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL4250778 0.98 CA1 (0.42) TSHRGAACA1CA2POLB
SCHEMBL4071033 0.98 CA1 (0.42) TSHRGAACA1CA2POLB
SCHEMBL7157586 0.80 CYP17A1 (0.34) CYP17A1
SCHEMBL4075766 0.80 CA12 (0.48) TSHRGAAPOLBMAPTKMT2A
SCHEMBL26470404 0.73 MAPT (0.32) POLBMAPTALDH1A1KDM4E
SCHEMBL2738754 0.71 CA1 (0.48) TSHRGAACA1CA2POLB
SCHEMBL15693598 0.71 CA1 (0.48) TSHRGAACA1CA2POLB
SCHEMBL1439330 0.69 CA1 (0.52) TSHRGAACA1CA2POLB
SCHEMBL14282245 0.69 CA1 (0.52) TSHRGAACA1CA2POLB
SCHEMBL13058300 0.69 CA1 (0.52) TSHRGAACA1CA2POLB

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 TSHR 2048/4885GAA 497/4885CA1 4828/4885

“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.