SCHEMBL2255236

SCHEMBL2255236

CC(CNC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
TGFBR1 P36897 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TRPV1 Q8NER1 4/20 0.40
CASP3 P42574 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 2/20 0.39
P2RX7 Q99572 1/20 0.39
RXRA P19793 2/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2257641 0.90 NPC1 (0.43) HCRTR1HCRTR2TGFBR1NPC1RAB9A
SCHEMBL2257645 0.90 NPC1 (0.43) HCRTR1HCRTR2TGFBR1NPC1RAB9A
SCHEMBL14176641 0.89 TGFBR1 (0.42) HCRTR1HCRTR2TGFBR1TRPV1CASP3
SCHEMBL2257561 0.89 OPRM1 (0.44) HCRTR1HCRTR2TGFBR1TDP1NPC1
SCHEMBL2257255 0.88 TGFBR1 (0.44) HCRTR1HCRTR2TGFBR1TRPV1CASP3
SCHEMBL2262501 0.87 MEN1 (0.53) HCRTR1HCRTR2TGFBR1MEN1KMT2A
SCHEMBL2259551 0.87 MEN1 (0.53) HCRTR1HCRTR2TGFBR1MEN1KMT2A
SCHEMBL12361543 0.84 RAB9A (0.51) HCRTR1HCRTR2TGFBR1NPC1RAB9A
SCHEMBL12361623 0.84 TGFBR1 (0.43) HCRTR1HCRTR2TGFBR1CASP3ALDH1A1
SCHEMBL2256261 0.84 TGFBR1 (0.42) HCRTR1HCRTR2TGFBR1TRPV1CASP3

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 HCRTR1 629/4885HCRTR2 528/4885TGFBR1 481/4885

“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.