SCHEMBL3472641

SCHEMBL3472641

CCOC(=O)c1cc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3cc(Cl)ccc3Cl)s2)cc(S(C)(=O)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.56
NR1H2 P55055 7/20 0.56
NR1H3 Q13133 7/20 0.56
PTGS2 P35354 6/20 0.38
PTGS1 P23219 2/20 0.37
ALOX5 P09917 1/20 0.37
CYP2C9 P11712 1/20 0.35
CHRNA7 P36544 1/20 0.35

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
SCHEMBL3472590 0.94 RXRA (0.56) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3471596 0.86 RXRA (0.52) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3471234 0.82 RXRA (0.61) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3472618 0.81 RXRA (0.82) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3474792 0.79 RXRA (0.59) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3472328 0.78 NR1H2 (0.68) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3472987 0.77 NR1H2 (0.56) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3474212 0.77 RXRA (0.56) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3471368 0.76 RXRA (0.53) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3470804 0.76 RXRA (0.57) RXRANR1H2NR1H3PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US claimed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100130617-A1 ETHANOLAMINE MODULATORS OF NMDA RECEPTOR AND MUSCARINIC ACETYLCHOLINE RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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 (2 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-20100130617-A1 ETHANOLAMINE MODULATORS OF NMDA RECEPTOR AND MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM3, CHRM5, CHRM4 RXRA 505/4885NR1H2 335/4885NR1H3 321/4885
US-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 RXRA 18/4885NR1H2 1/4885NR1H3 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.