SCHEMBL5547124

SCHEMBL5547124

O=C(O)CCc1cc(-c2ccc(O)cc2)n(-c2ccc(Cl)cc2)n1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.78
RXRB P28702 10/20 0.78
RXRG P48443 10/20 0.78
PTGS2 P35354 2/20 0.59
ALOX5 P09917 1/20 0.59
MALT1 Q9UDY8 6/20 0.57
RPA1 P27694 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SLC16A3 O15427 1/20 0.54
SLC16A1 P53985 1/20 0.54

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
SCHEMBL5551695 1.00 RXRA (0.78) RXRARXRBRXRGPTGS2ALOX5
SCHEMBL9522392 0.90 RXRA (0.81) RXRARXRBRXRGPTGS2ALOX5
SCHEMBL5393447 0.86 RXRA (0.84) RXRARXRBRXRGPTGS2ALOX5
SCHEMBL6501484 0.85 PTGS2 (0.74) RXRARXRBRXRGPTGS2SMN1; SMN2
SCHEMBL14728118 0.82 RXRA (0.80) RXRARXRBRXRGPTGS2ALOX5
SCHEMBL14445463 0.80 RXRA (0.78) RXRARXRBRXRGPTGS2ALOX5
SCHEMBL8476180 0.79 RXRA (0.57) RXRARXRBRXRGPTGS2ALOX5
SCHEMBL9465697 0.79 RXRA (0.61) RXRARXRBRXRGPTGS2ALOX5
SCHEMBL878054 0.77 RXRA (0.71) RXRARXRBRXRGPTGS2ALOX5
SCHEMBL9520300 0.77 ALOX5 (0.79) RXRARXRBRXRGPTGS2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 US claimed
WO-2005037227-A2 SELECTIVE COX-2 INHIBITORS MICROBIA, INC. (US) 2005-04-28 WO claimed
US-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 US disclosed
WO-2005037227-A2 SELECTIVE COX-2 INHIBITORS MICROBIA, INC. (US) 2005-04-28 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-20070293542-A1 Selective Cox-2 Inhibitors PTGS2, FAAH2, PTGES2 RXRA 3048/4885RXRB 2765/4885RXRG 2733/4885

“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.