SCHEMBL3478422

SCHEMBL3478422

CC(C)(O)c1ccccc1-n1nc(C(F)(F)F)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)s1

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.85
NR1H2 P55055 9/20 0.85
NR1H3 Q13133 9/20 0.85
PTGS2 P35354 5/20 0.47
PIK3CA P42336 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL3472269 0.93 NR1H2 (0.85) RXRANR1H2NR1H3PTGS2PIK3CA
SCHEMBL3473486 0.92 NR1H2 (1.00) RXRANR1H2NR1H3PTGS2PIK3CA
SCHEMBL3470981 0.87 NR1H2 (0.73) RXRANR1H2NR1H3PTGS2PIK3CA
SCHEMBL3471859 0.87 NR1H2 (0.73) RXRANR1H2NR1H3PTGS2PIK3CA
SCHEMBL3471880 0.87 NR1H2 (0.85) RXRANR1H2NR1H3PTGS2PIK3CA
SCHEMBL3474092 0.86 RXRA (0.81) RXRANR1H2NR1H3PTGS2CYP2C9
SCHEMBL3475053 0.86 RXRA (0.81) RXRANR1H2NR1H3PTGS2CYP2C9
SCHEMBL3470999 0.86 RXRA (0.81) RXRANR1H2NR1H3PTGS2HSD17B1
SCHEMBL3471121 0.86 RXRA (0.77) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3471721 0.85 RXRA (1.00) RXRANR1H2NR1H3PTGS2PTGS1

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.