SCHEMBL3490943

SCHEMBL3490943

CCS(=O)(=O)c1cccc(-c2ccc(-c3nc4cccc(C(F)(F)F)c4nc3C)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 1.00
NR1H3 Q13133 10/20 0.67
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 1/20 0.40

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
SCHEMBL3492016 0.89 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL3491581 0.86 NR1H2 (1.00) NR1H2NR1H3CYP3A4
SCHEMBL3489919 0.84 NR1H2 (0.91) NR1H2NR1H3
SCHEMBL3491902 0.83 NR1H2 (0.89) NR1H2NR1H3
SCHEMBL2319056 0.83 NR1H2 (0.70) NR1H2NR1H3
SCHEMBL3490740 0.82 NR1H2 (0.83) NR1H2NR1H3
SCHEMBL3490508 0.82 NR1H2 (0.92) NR1H2NR1H3CYP3A4
SCHEMBL3492028 0.82 NR1H2 (0.83) NR1H2NR1H3
SCHEMBL3490410 0.80 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL2358477 0.80 NR1H2 (0.67) NR1H2NR1H3CYP1A2CYP3A4CYP2C9

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 2/4885CYP1A2 145/4885

“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.