SCHEMBL5653947

SCHEMBL5653947

C[S+]([O-])c1ccc(C=C2C=C(CC(N)=O)c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.42
PTGS1 P23219 2/20 0.41
HTR6 P50406 1/20 0.40
CNR1 P21554 1/20 0.40
RXRA P19793 2/20 0.38

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
SCHEMBL5653943 1.00 PPARG (0.42) PPARGPTGS1HTR6CNR1RXRA
SCHEMBL9621642 0.89 PPARG (0.54) PPARGPTGS1HTR6CNR1RXRA
SCHEMBL2541623 0.86 RXRA (0.41) PPARGPTGS1HTR6CNR1RXRA
SCHEMBL27729340 0.77 PPARG (0.53) PPARGPTGS1RXRA
SCHEMBL2541626 0.75 PPARG (0.46) PPARGPTGS1RXRA
SCHEMBL14301060 0.74 HTR6 (0.36) HTR6CNR1
SCHEMBL4548508 0.74 PPARG (0.73) PPARGPTGS1RXRA
SCHEMBL11884029 0.74 KMT2A (0.37) PPARGPTGS1HTR6
SCHEMBL27754431 0.72 PPARG (0.40) PPARGPTGS1RXRA
SCHEMBL4548560 0.72 PPARG (0.56) PPARGPTGS1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0342682-A2 Hydroxamate derivatives of selected nonsteroidal anti-inflammatory acyl residues having cyclooxygenase and 5-lipoxygenase inhibition WARNER-LAMBERT COMPANY (US) 1989-11-23 EP claimed
US-20070244122-A1 Derivatives of sulindac, use thereof and preparation thereof SOUTHERN RESEARCH INSTITUTE OFFICE OF COMMERCIALIZATION AND INTELLECTUAL PROPERTY (US) 2007-10-18 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-20070244122-A1 Derivatives of sulindac, use thereof and preparation thereof SULT2A1, PTGES3, SULT1A1 PPARG 244/4885PTGS1 6/4885HTR6 1469/4885

“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.