SCHEMBL2004171

SCHEMBL2004171

O=C(c1cnc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CCO2)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.47
KCNH2 Q12809 2/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
RORC P51449 4/20 0.45
PTGS2 P35354 1/20 0.44
SLC6A9 P48067 1/20 0.44
NR1H3 Q13133 2/20 0.43
NR1H2 P55055 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MLYCD O95822 1/20 0.42

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
SCHEMBL2001989 0.92 HPGD (0.48) POLBL3MBTL1RORCSLC6A9NR1H3
SCHEMBL12570135 0.91 RORC (0.44) EPHX2KCNH2L3MBTL1RORCNR1H3
SCHEMBL2005449 0.88 TSHR (0.47) L3MBTL1MAPK1RORCNR1H3ALDH1A1
SCHEMBL2002839 0.87 RORC (0.48) EPHX2RORCNR1H3NR1H2
SCHEMBL2008016 0.86 KMT2A (0.45) POLBRORCNR1H3NR1H2HPGD
SCHEMBL2001530 0.86 CRHBP (0.44) RORCNR1H3NR1H2ALDH1A1HSD17B10
SCHEMBL2004004 0.86 RORC (0.47) EPHX2L3MBTL1RORCNR1H3NR1H2
SCHEMBL2000444 0.86 RORC (0.49) EPHX2RORCNR1H3NR1H2ALDH1A1
SCHEMBL2000796 0.83 CYP2C9 (0.55) EPHX2RORCNR1H3NR1H2
SCHEMBL2006881 0.83 RORC (0.42) RORCNR1H3NR1H2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US claimed
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US disclosed
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US disclosed
US-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US disclosed
WO-2009120660-A2 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 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-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CNR1, CNR2, TRPV1 EPHX2 345/4885KCNH2 1073/4885POLB 3140/4885

“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.