SCHEMBL5481729

SCHEMBL5481729

O=C(O)CC1CCc2ccc(S(=O)(=O)Cl)cc21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.46
FFAR1 O14842 1/20 0.46
PPARA Q07869 7/20 0.43
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL5691785 0.92 HTR6 (0.41) PPARDFFAR1
SCHEMBL14508397 0.82 PPARD (0.40) PPARD
SCHEMBL12749616 0.82 PPARD (0.46) PPARDFFAR1PPARA
SCHEMBL3411465 0.79 ESR1 (0.62) PPARDFFAR1PPARAESR1ESR2
SCHEMBL28601267 0.77 FFAR1 (0.50) PPARDFFAR1PPARAESR1ESR2
SCHEMBL28601201 0.77 FFAR1 (0.50) PPARDFFAR1PPARAESR1ESR2
SCHEMBL14508402 0.75 CYP11B1 (0.43)
SCHEMBL10444045 0.75 FFAR1 (0.47) PPARDFFAR1PPARA
SCHEMBL1472802 0.74 PPARD (0.46) PPARDFFAR1PPARA
SCHEMBL8037012 0.73 PPARD (0.48) PPARDFFAR1PPARAESR1ESR2

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
US-20070117860-A1 Bicyclic indolinesulphonamide derivatives BAYER HEALTHCARE AG (DE) 2007-05-24 US disclosed
EP-1654227-A1 BICYCLIC INDOLINE SULFONAMIDE DERIVATIVES Bayer HealthCare AG (DE) 2006-05-10 EP disclosed
WO-2005016881-A1 BICYCLIC INDOLINE SULFONAMIDE DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-02-24 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-20070117860-A1 Bicyclic indolinesulphonamide derivatives PPARD, PPARA, PPARG PPARD 1/4885FFAR1 21/4885PPARA 2/4885

“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.