SCHEMBL3471435

SCHEMBL3471435

CC(c1cc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)ccc1C(=O)O)N(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.52
NR1H2 P55055 3/20 0.52
NR1H3 Q13133 3/20 0.52
NR3C2 P08235 3/20 0.47
PTGS2 P35354 4/20 0.39
SLC16A3 O15427 4/20 0.38
PTGS1 P23219 3/20 0.38
SLC16A1 P53985 3/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MARS1 P56192 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
CARM1 Q86X55 1/20 0.38
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL3478471 0.87 RXRA (0.59) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3474985 0.84 RXRA (0.49) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3473980 0.83 RXRA (0.48) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3472517 0.83 NR3C2 (0.47) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3471439 0.81 RXRA (0.51) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3474265 0.80 RXRA (0.50) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3472956 0.78 RXRA (0.62) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3478472 0.76 RXRA (0.57) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3471729 0.76 RXRA (0.60) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3472163 0.76 RXRA (0.60) RXRANR1H2NR1H3NR3C2PTGS2

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.