SCHEMBL788358

SCHEMBL788358

CC(C)(O)c1cn(-c2ccc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)cc2Cl)c(C(C)(C)c2ccccc2F)n1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.84
RXRA P19793 18/20 0.84
NR1H3 Q13133 18/20 0.84
NR1I2 O75469 2/20 0.75

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
SCHEMBL780318 0.94 NR1H2 (0.86) NR1H2RXRANR1H3NR1I2
SCHEMBL779541 0.91 NR1H2 (1.00) NR1H2RXRANR1H3NR1I2
SCHEMBL19579159 0.90 NR1H2 (0.94) NR1H2RXRANR1H3NR1I2
SCHEMBL30412305 0.90 NR1H2 (1.00) NR1H2RXRANR1H3NR1I2
SCHEMBL779280 0.90 NR1H2 (1.00) NR1H2RXRANR1H3NR1I2
SCHEMBL781718 0.88 NR1H2 (1.00) NR1H2RXRANR1H3NR1I2
SCHEMBL16407940 0.88 NR1H2 (0.77) NR1H2RXRANR1H3NR1I2
SCHEMBL780880 0.86 NR1H2 (1.00) NR1H2RXRANR1H3NR1I2
SCHEMBL21653448 0.86 NR1H2 (0.84) NR1H2RXRANR1H3NR1I2
SCHEMBL16407947 0.85 NR1H2 (0.89) NR1H2RXRANR1H3NR1I2

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-20140163081-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-06-12 US disclosed
US-20120071534-A1 LXR MODULATORS EXELIXIS, INC. 2012-03-22 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 (2 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-20140163081-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 NR1H2 2/4885RXRA 10/4885NR1H3 1/4885
US-20120071534-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 NR1H2 2/4885RXRA 10/4885NR1H3 1/4885

“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.