SCHEMBL3470970

SCHEMBL3470970

O=C(OCc1cccs1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.49
NR1H2 P55055 3/20 0.49
NR1H3 Q13133 3/20 0.49
NR3C2 P08235 1/20 0.46
HTT P42858 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PTGER1 P34995 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
MAPT P10636 3/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 1/20 0.38
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 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
SCHEMBL3472099 0.91 RXRA (0.48) RXRANR1H2NR1H3NR3C2HTT
SCHEMBL3472681 0.89 RXRA (0.45) RXRANR1H2NR1H3NR3C2HTT
SCHEMBL3472663 0.85 RXRA (0.51) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3474009 0.85 RXRA (0.49) RXRANR1H2NR1H3NR3C2PTGER1
SCHEMBL3475415 0.84 RXRA (0.49) RXRANR1H2NR1H3NR3C2ALDH1A1
SCHEMBL3472781 0.84 RXRA (0.49) RXRANR1H2NR1H3NR3C2HTT
SCHEMBL3471783 0.83 RXRA (0.49) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3474016 0.83 RXRA (0.50) RXRANR1H2NR1H3NR3C2NPSR1
SCHEMBL3473200 0.83 RXRA (0.52) RXRANR1H2NR1H3NR3C2HPGD
SCHEMBL3472482 0.82 NR1H2 (0.45) RXRANR1H2NR1H3NR3C2SMN1; SMN2

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 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.