SCHEMBL3471270

SCHEMBL3471270

CCc1cc(CC(=O)O)cc(-c2csc(-c3cc(C(F)(F)F)nn3-c3cc(Cl)ccc3Cl)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
PTGS2 P35354 5/20 0.40
RXRA P19793 3/20 0.38
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
KDM4E B2RXH2 2/20 0.34
PTGS1 P23219 2/20 0.34
HTT P42858 1/20 0.34
PTGER1 P34995 1/20 0.34
TRPV1 Q8NER1 3/20 0.34
MARS1 P56192 1/20 0.33

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
SCHEMBL3472132 0.88 RXRA (0.42) CYP2C9PTGS2RXRANR1H2NR1H3
SCHEMBL15690841 0.80 SYK (0.42) RXRANR1H2NR1H3HTTTRPV1
SCHEMBL3473693 0.77 RXRA (0.43) PTGS2RXRANR1H2NR1H3KDM4E
SCHEMBL3473415 0.75 NR1H2 (0.64) CYP2C9PTGS2RXRANR1H2NR1H3
SCHEMBL3472736 0.72 RXRA (0.45) CYP2C9PTGS2RXRANR1H2NR1H3
SCHEMBL3472412 0.72 RXRA (0.37) CYP2C9PTGS2RXRANR1H2NR1H3
SCHEMBL3471814 0.71 MAPT (0.39) PTGS2RXRANR1H2NR1H3KDM4E
SCHEMBL3471620 0.69 RXRA (0.66) CYP2C9PTGS2RXRANR1H2NR1H3
SCHEMBL3471768 0.68 RXRA (0.65) CYP2C9PTGS2RXRANR1H2NR1H3
SCHEMBL3474792 0.68 RXRA (0.59) PTGS2RXRANR1H2NR1H3PTGS1

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 3 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-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 CYP2C9 141/4885PTGS2 1500/4885RXRA 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.