SCHEMBL3471900

SCHEMBL3471900

COC(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3c(Cl)cccc3Cl)c(Cl)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.45
SDHB P21912 1/20 0.44
RXRA P19793 2/20 0.43
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SYK P43405 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK14 Q16539 2/20 0.41
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
POLB P06746 2/20 0.40
DHODH Q02127 1/20 0.39
PDPK1 O15530 1/20 0.39
TP53 P04637 1/20 0.38
ERN1 O75460 1/20 0.38

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
SCHEMBL3473530 0.82 RXRA (0.66) PDK2SDHBRXRANR1H2NR1H3
SCHEMBL3471548 0.80 RXRA (0.44) RXRANR1H2NR1H3SYKPTGS1
SCHEMBL2257758 0.80 NR1H4 (0.50) SDHBRXRANR1H2NR1H3SYK
SCHEMBL3472571 0.73 PTGS2 (0.47) RXRANR1H2NR1H3PTGS1PTGS2
SCHEMBL2256753 0.73 NR1H4 (0.49) PDK2SDHBRXRANR1H2NR1H3
SCHEMBL14353350 0.72 PTGS2 (0.57) PTGS1PTGS2PDPK1
SCHEMBL3471461 0.72 P4HB (0.37) RXRANR1H2NR1H3MAPTMAPK14
SCHEMBL3472322 0.72 MAPT (0.55) RXRANR1H2NR1H3MAPTSMN1; SMN2
SCHEMBL3471458 0.72 P4HB (0.37) RXRANR1H2NR1H3MAPTMAPK14
SCHEMBL2256963 0.71 NR1H2 (0.59) RXRANR1H2NR1H3

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 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
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 (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 PDK2 2765/4885SDHB 3976/4885RXRA 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.