SCHEMBL3472644

SCHEMBL3472644

CS(=O)(=O)c1cccc(-c2ccc(-c3c(Cl)c(C(=O)NC(F)(F)F)nn3-c3cccnc3C(F)(F)F)c(Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.44
NR1H3 Q13133 11/20 0.44
RXRA P19793 8/20 0.44
KLKB1 P03952 1/20 0.35
SYK P43405 1/20 0.35
CYP2C9 P11712 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CNR1 P21554 1/20 0.34
HSD11B1 P28845 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
SCHEMBL3472540 0.90 NR1H2 (0.42) NR1H2NR1H3RXRAKLKB1SYK
SCHEMBL3473570 0.85 NR1H2 (0.47) NR1H2NR1H3RXRASYKCYP2C9
SCHEMBL3474363 0.78 NR1H2 (0.44) NR1H2NR1H3RXRASYKCYP2C9
SCHEMBL3472934 0.78 NR1H2 (0.56) NR1H2NR1H3RXRACYP2C9
SCHEMBL3472382 0.77 NR1H2 (0.46) NR1H2NR1H3RXRAKLKB1CTSL
SCHEMBL3472179 0.76 NR1H2 (0.45) NR1H2NR1H3RXRACTSLCTSB
SCHEMBL3472473 0.71 NR1H2 (0.55) NR1H2NR1H3RXRACNR1
SCHEMBL3471964 0.70 NR1H2 (0.50) NR1H2NR1H3RXRACYP2C9
SCHEMBL3470903 0.69 NR1H2 (0.44) NR1H2NR1H3RXRA
SCHEMBL15641675 0.68 NR1H2 (0.51) NR1H2NR1H3RXRASYKCYP2C9

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 NR1H2 1/4885NR1H3 2/4885RXRA 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.