SCHEMBL2260302

SCHEMBL2260302

CN(C(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl)C(C(=O)O)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.38
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
CARM1 Q86X55 2/20 0.37
KLKB1 P03952 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
GPBAR1 Q8TDU6 4/20 0.36
KCNT1 Q5JUK3 2/20 0.36
IDH1 O75874 1/20 0.34
TGFBR1 P36897 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL2257612 0.81 RXRA (0.43) RXRANR1H2NR1H3CARM1KLKB1
SCHEMBL2260461 0.79 CARM1 (0.50) RXRANR1H2NR1H3CARM1GPBAR1
SCHEMBL15706914 0.78 KLKB1 (0.39) RXRANR1H2NR1H3CARM1KLKB1
SCHEMBL2257699 0.76 RAB9A (0.46) RXRANR1H2NR1H3CARM1KCNT1
SCHEMBL3473146 0.76 RXRA (0.51) RXRANR1H2NR1H3TRPM8GPBAR1
SCHEMBL2257738 0.75 RXRA (0.44) RXRANR1H2NR1H3CARM1KLKB1
SCHEMBL950585 0.73 KLKB1 (0.52) RXRANR1H2NR1H3CARM1KLKB1
SCHEMBL2259509 0.73 CYP11B2 (0.51) CARM1KLKB1
SCHEMBL2255810 0.73 CARM1 (0.43) RXRANR1H2NR1H3CARM1TGFBR1
SCHEMBL2256089 0.73 KLKB1 (0.41) KLKB1TP53

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 8 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-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
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 RXRA 8/4885NR1H2 2/4885NR1H3 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.