SCHEMBL4078319

SCHEMBL4078319

N#CCS(=O)(=O)c1ccc(CCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
ALDH1A1 P00352 4/20 0.51
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.49
FFAR1 O14842 9/20 0.49
IDO1 P14902 1/20 0.48
KEAP1 Q14145 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
FFAR4 Q5NUL3 2/20 0.46

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
SCHEMBL14744565 0.80 ALDH1A1 (0.66) CA1CA2ALDH1A1NPSR1MAPT
SCHEMBL4075954 0.76 TSHR (0.54) CA1CA2ALDH1A1
SCHEMBL9845455 0.75 CA1 (0.70) CA1CA2ALDH1A1NPSR1MAPT
SCHEMBL11551946 0.75 FFAR1 (0.63) CA1CA2FFAR1KEAP1FFAR4
SCHEMBL30026591 0.74 CA1 (0.58) CA1CA2ALDH1A1NPSR1MAPT
SCHEMBL69746 0.74 FFAR1 (0.81) CA1CA2FFAR1KEAP1LMNA
SCHEMBL4964212 0.74 CA2 (1.00) CA1CA2ALDH1A1NPSR1MAPT
SCHEMBL40250 0.74 CA1 (0.68) CA1CA2ALDH1A1NPSR1MAPT
SCHEMBL1429021 0.74 CA1 (0.68) CA1CA2ALDH1A1NPSR1MAPT
Lithium Ion SCHEMBL28445902 0.74 CA1 (0.68) CA1CA2ALDH1A1NPSR1MAPT

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 CA1 4828/4885CA2 4544/4885ALDH1A1 66/4885

“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.