SCHEMBL3472176

SCHEMBL3472176

Cc1cc(-c2ccc(-c3cc(C(F)(F)F)nn3Cc3ccc(F)cc3F)s2)cnc1S(C)(=O)=O

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.72
NR1H2 P55055 5/20 0.72
NR1H3 Q13133 5/20 0.72
PTGS2 P35354 4/20 0.37
PTGS1 P23219 1/20 0.37
FLT3 P36888 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GUCY1B2 O75343 1/20 0.35
GUCY1A2 P33402 1/20 0.35
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35
PKM P14618 1/20 0.34
PKLR P30613 1/20 0.34
SCN9A Q15858 1/20 0.33

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
SCHEMBL3471757 0.84 RXRA (1.00) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL2389608 0.78 RXRA (0.73) RXRANR1H2NR1H3FLT3PKM
SCHEMBL3472537 0.76 RXRA (0.83) RXRANR1H2NR1H3FLT3
SCHEMBL3471298 0.75 RXRA (0.63) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3472061 0.74 RXRA (0.70) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3473492 0.74 RXRA (0.70) RXRANR1H2NR1H3NPC1RAB9A
SCHEMBL3472178 0.74 RXRA (0.58) RXRANR1H2NR1H3GUCY1B2GUCY1A2
SCHEMBL3471056 0.74 RXRA (0.71) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3474540 0.74 RXRA (0.69) RXRANR1H2NR1H3PTGS2
SCHEMBL3470788 0.73 RXRA (0.57) RXRANR1H2NR1H3GUCY1B2GUCY1A2

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-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-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 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.