SCHEMBL3227910

SCHEMBL3227910

CCOC(=O)c1cn(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)c(-c2ccccc2Cl)n1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.67
RXRA P19793 6/20 0.67
NR1H3 Q13133 6/20 0.67
PTGS2 P35354 2/20 0.62
GABRA2 P47869 10/20 0.55
GABRB2 P47870 10/20 0.55

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
SCHEMBL14176962 0.91 NR1H2 (0.69) NR1H2RXRANR1H3PTGS2GABRA2
SCHEMBL2256534 0.90 GABRA2 (0.59) NR1H2RXRANR1H3PTGS2GABRA2
SCHEMBL3584097 0.89 NR1H2 (0.73) NR1H2RXRANR1H3PTGS2GABRA2
SCHEMBL3579805 0.88 NR1H2 (0.73) NR1H2RXRANR1H3PTGS2
SCHEMBL3577322 0.88 NR1H2 (0.73) NR1H2RXRANR1H3PTGS2
SCHEMBL3578602 0.87 NR1H2 (0.72) NR1H2RXRANR1H3PTGS2
SCHEMBL2256856 0.87 NR1H2 (0.64) NR1H2RXRANR1H3PTGS2GABRA2
SCHEMBL3580613 0.86 NR1H2 (0.68) NR1H2RXRANR1H3PTGS2
SCHEMBL14621375 0.85 NR1H2 (0.72) NR1H2RXRANR1H3PTGS2
SCHEMBL3578604 0.85 NR1H2 (0.72) NR1H2RXRANR1H3PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 EP disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
EP-2121621-A1 LXR AND FXR MODULATORS Exelixis, Inc. (US) 2009-11-25 EP disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 WO disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 WO 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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 NR1H2 2/4885RXRA 8/4885NR1H3 1/4885

“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.