SCHEMBL3474514

SCHEMBL3474514

CC(C)(O)c1nn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2F)c(-c2cccc(Cl)c2Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 17/20 0.47
NR1H3 Q13133 17/20 0.47
RXRA P19793 16/20 0.47
NR1I2 O75469 1/20 0.41
KLKB1 P03952 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL3472499 0.91 NR1H2 (0.43) NR1H2NR1H3RXRANR1I2KLKB1
SCHEMBL2329559 0.89 NR1H2 (0.48) NR1H2NR1H3RXRANR1I2KLKB1
SCHEMBL3475315 0.87 NR1H2 (0.44) NR1H2NR1H3RXRANR1I2KLKB1
SCHEMBL3471883 0.86 NR1H2 (0.53) NR1H2NR1H3RXRA
SCHEMBL3471963 0.85 NR1H2 (0.54) NR1H2NR1H3RXRA
SCHEMBL3472919 0.84 NR1H2 (0.43) NR1H2NR1H3RXRAKLKB1PTGS2
SCHEMBL3473872 0.84 NR1H2 (0.48) NR1H2NR1H3RXRANR1I2KLKB1
SCHEMBL2257623 0.82 NR1H2 (0.49) NR1H2NR1H3RXRANR1I2
SCHEMBL3472789 0.82 NR1H2 (0.50) NR1H2NR1H3RXRA
SCHEMBL3472270 0.82 NR1H2 (0.52) NR1H2NR1H3RXRA

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
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

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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 18/4885

“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.