SCHEMBL5747563

SCHEMBL5747563

COC(=O)CCc1cccc(OC(=S)N(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.52
SIRT2 Q8IXJ6 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
FFAR1 O14842 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3919233 0.86 SMN1; SMN2 (0.49) ACHE
SCHEMBL4674082 0.83 KMT2A (0.51)
SCHEMBL63100 0.80 HDAC1 (0.61) HDAC1HDAC6MTNR1AMTNR1B
SCHEMBL3930468 0.79 FFAR4 (0.53) ACHESIRT2HDAC1HDAC6MTNR1A
SCHEMBL3920495 0.79 ALDH1A1 (0.43) FFAR1
SCHEMBL14051488 0.77 ACHE (0.47) ACHE
SCHEMBL9754340 0.77 BCHE (0.55) ACHEHDAC1HDAC6
SCHEMBL8134234 0.76 CHRNB2 (0.54) ACHECYP2D6
SCHEMBL9804265 0.76 FFAR1 (0.60) SIRT2FFAR1
SCHEMBL4644508 0.76 SIRT2 (0.48) SIRT2HDAC1HDAC6MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735280-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS Kalypsys, Inc. (US) 2006-12-27 EP disclosed
WO-2005115983-A1 ARYL SULFONAMIDE AND SULFONYL COMPOUNDS AS MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2005-12-08 WO disclosed
US-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders KALYPSYS, INC. (US) 2005-10-20 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 (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-20050234046-A1 Aryl sulfonamide and sulfonyl compounds as modulators of PPAR and methods of treating metabolic disorders PPARA, PPARG, PPARD ACHE 3680/4885SIRT2 308/4885HDAC1 773/4885

“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.