SCHEMBL3473588

SCHEMBL3473588

O=C(c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)N1CCC(O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.52
NR1H2 P55055 3/20 0.52
NR1H3 Q13133 3/20 0.52
NR3C2 P08235 1/20 0.49
JAK2 O60674 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
MGLL Q99685 4/20 0.42
GRM5 P41594 1/20 0.42
CNR1 P21554 2/20 0.41
HDAC4 P56524 1/20 0.41
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNB3 P54284 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNG7 P62955 1/20 0.41
CACNA1B Q00975 1/20 0.41

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
SCHEMBL3472556 0.94 RXRA (0.51) RXRANR1H2NR1H3NR3C2JAK2
SCHEMBL3471468 0.94 RXRA (0.51) RXRANR1H2NR1H3NR3C2JAK2
SCHEMBL3471228 0.91 RXRA (0.52) RXRANR1H2NR1H3NR3C2MGLL
SCHEMBL3470736 0.90 RXRA (0.56) RXRANR1H2NR1H3NR3C2HDAC4
SCHEMBL3472549 0.90 RXRA (0.56) RXRANR1H2NR1H3NR3C2HDAC4
SCHEMBL3473783 0.90 RXRA (0.52) RXRANR1H2NR1H3NR3C2JAK2
SCHEMBL3473198 0.89 RXRA (0.55) RXRANR1H2NR1H3NR3C2HDAC4
SCHEMBL3471359 0.89 RXRA (0.49) RXRANR1H2NR1H3NR3C2JAK2
SCHEMBL3474689 0.89 RXRA (0.49) RXRANR1H2NR1H3NR3C2
SCHEMBL3473063 0.89 RXRA (0.49) RXRANR1H2NR1H3NR3C2JAK2

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 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.