SCHEMBL2256261

SCHEMBL2256261

Cc1ccc(OC(C)CNC(=O)COc2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.42
P2RY1 P47900 2/20 0.39
TRPV1 Q8NER1 3/20 0.38
CASP3 P42574 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
RXRA P19793 2/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2257255 0.94 TGFBR1 (0.44) TGFBR1P2RY1TRPV1CASP3MEN1
SCHEMBL2258215 0.93 TGFBR1 (0.42) TGFBR1TRPV1CASP3HCRTR1HCRTR2
SCHEMBL2258136 0.93 TGFBR1 (0.42) TGFBR1P2RY1TRPV1CASP3MEN1
SCHEMBL2262135 0.84 HCRTR1 (0.49) TGFBR1TRPV1MAPTMAPK1HTT
SCHEMBL2259129 0.84 HCRTR1 (0.46) TGFBR1P2RY1TRPV1MEN1MAPT
SCHEMBL2255236 0.84 HCRTR1 (0.50) TGFBR1TRPV1CASP3MEN1MAPT
SCHEMBL2256572 0.83 ALDH1A1 (0.43) TGFBR1MEN1MAPTMAPK1KMT2A
SCHEMBL2258261 0.82 KDM4E (0.47) TGFBR1P2RY1CASP3MAPTMAPK1
SCHEMBL14177102 0.81 TGFBR1 (0.37) TGFBR1P2RY1TRPV1CASP3MEN1
SCHEMBL2259413 0.81 TGFBR1 (0.41) TGFBR1P2RY1TRPV1CASP3RXRA

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 TGFBR1 481/4885P2RY1 302/4885TRPV1 1100/4885

“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.