SCHEMBL3472244

SCHEMBL3472244

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)nn3CC(=O)N3CCOCC3)s2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.58
NR1H2 P55055 7/20 0.58
NR1H3 Q13133 7/20 0.58
LMNA P02545 1/20 0.44
CCR1 P32246 1/20 0.42
IRAK4 Q9NWZ3 7/20 0.41
HSD17B10 Q99714 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
FLT3 P36888 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
SCHEMBL3472326 0.92 RXRA (0.60) RXRANR1H2NR1H3CCR1IRAK4
SCHEMBL3472666 0.91 RXRA (0.59) RXRANR1H2NR1H3CCR1IRAK4
SCHEMBL3474945 0.86 RXRA (0.61) RXRANR1H2NR1H3
SCHEMBL3472596 0.84 RXRA (0.66) RXRANR1H2NR1H3HSD17B1HSD17B2
SCHEMBL12979545 0.84 NR1H2 (0.66) RXRANR1H2NR1H3HSD17B1HSD17B2
SCHEMBL3472821 0.82 RXRA (0.63) RXRANR1H2NR1H3HSD17B1HSD17B2
SCHEMBL3471265 0.82 RXRA (0.53) RXRANR1H2NR1H3
SCHEMBL15230208 0.80 NR1H2 (0.61) RXRANR1H2NR1H3HSD17B10HSD17B1
SCHEMBL16455318 0.80 NR1H2 (0.60) RXRANR1H2NR1H3HSD17B1HSD17B2
SCHEMBL15242996 0.80 NR1H2 (0.60) RXRANR1H2NR1H3HSD17B1HSD17B2

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-20140148467-A1 Carboxamide Compounds and Methods for Using the Same RIGEL PHARMACEUTICALS, INC. (US) 2014-05-29 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-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 (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-20140148467-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 RXRA 285/4885NR1H2 926/4885NR1H3 1172/4885
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.