SCHEMBL3489890

SCHEMBL3489890

CS(=O)(=O)c1ccc(-c2ccc(-c3cnc4cccc(C(F)(F)F)c4n3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.53
NR1H3 Q13133 4/20 0.51
KCNH2 Q12809 1/20 0.51
PARP1 P09874 1/20 0.48
KIF11 P52732 1/20 0.46
PTGS2 P35354 3/20 0.45
ATR Q13535 4/20 0.45
PRKDC P78527 3/20 0.45
ATM Q13315 3/20 0.45
PTGS1 P23219 1/20 0.43
SYK P43405 1/20 0.42

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
SCHEMBL3493672 0.91 NR1H2 (0.66) NR1H2NR1H3PARP1SYK
SCHEMBL2358915 0.83 POLB (0.45) NR1H2NR1H3PARP1
SCHEMBL3491488 0.81 NR1H2 (0.66) NR1H2NR1H3ATR
SCHEMBL2317820 0.80 BCHE (0.56) PARP1
SCHEMBL2320964 0.80 NR1H2 (0.62) NR1H2NR1H3
SCHEMBL2358913 0.78 NR1H2 (0.45) NR1H2NR1H3PARP1
SCHEMBL3492028 0.78 NR1H2 (0.83) NR1H2NR1H3KIF11PTGS2PTGS1
SCHEMBL16566189 0.74 NR1H2 (0.58) NR1H2NR1H3
SCHEMBL2359417 0.74 ALOX5AP (0.46) NR1H2NR1H3PTGS2
SCHEMBL3490740 0.74 NR1H2 (0.83) NR1H2NR1H3KIF11SYK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010054229-A1 QUINOXALINE-BASED LXR MODULATORS WYETH LLC (US) 2010-05-14 WO disclosed
US-20100120778-A1 QUINOXALINE-BASED LXR MODULATORS WYETH (US) 2010-05-13 US disclosed
US-20100120778-A1 QUINOXALINE-BASED LXR MODULATORS WYETH (US) 2010-05-13 US disclosed
US-20100120778-A1 QUINOXALINE-BASED LXR MODULATORS WYETH (US) 2010-05-13 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-20100120778-A1 QUINOXALINE-BASED LXR MODULATORS NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885KCNH2 1575/4885

“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.