SCHEMBL3474540

SCHEMBL3474540

O=C(O)Cc1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3Cc3ccc(F)cc3F)s2)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.69
NR1H2 P55055 5/20 0.69
NR1H3 Q13133 5/20 0.69
TRPV1 Q8NER1 1/20 0.39
KCNK3 O14649 4/20 0.38
CYP2C9 P11712 2/20 0.38
SYK P43405 1/20 0.38
PTGS2 P35354 2/20 0.36
AKR1B1 P15121 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL3473492 0.84 RXRA (0.70) RXRANR1H2NR1H3TRPV1KCNK3
SCHEMBL3471757 0.82 RXRA (1.00) RXRANR1H2NR1H3KCNK3PTGS2
SCHEMBL3471660 0.81 RXRA (0.45) RXRANR1H2NR1H3TRPV1CYP2C9
SCHEMBL3471298 0.77 RXRA (0.63) RXRANR1H2NR1H3TRPV1KCNK3
SCHEMBL2387464 0.76 RXRA (0.76) RXRANR1H2NR1H3KCNK3PTGDR2
SCHEMBL3472537 0.75 RXRA (0.83) RXRANR1H2NR1H3KCNK3
SCHEMBL3472083 0.75 RXRA (0.49) RXRANR1H2NR1H3TRPV1KCNK3
SCHEMBL3472178 0.74 RXRA (0.58) RXRANR1H2NR1H3KCNK3
SCHEMBL3472176 0.74 RXRA (0.72) RXRANR1H2NR1H3PTGS2
SCHEMBL3471620 0.73 RXRA (0.66) RXRANR1H2NR1H3TRPV1CYP2C9

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 7 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

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.