SCHEMBL2005182

SCHEMBL2005182

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 13/20 0.60
NR1H2 P55055 3/20 0.49
NR1H3 Q13133 3/20 0.49
CPT1A P50416 2/20 0.45
CYP2C9 P11712 1/20 0.42
HTR6 P50406 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NR1I2 O75469 2/20 0.39

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
SCHEMBL2001670 0.90 RORC (0.58) RORCNR1H2NR1H3CPT1ACYP2C9
SCHEMBL2000444 0.89 RORC (0.49) RORCNR1H2NR1H3CPT1ACYP2C9
SCHEMBL2003367 0.89 CPT1A (0.52) RORCNR1H3CPT1ACYP2C9HTR6
SCHEMBL12569920 0.86 RORC (0.57) RORCNR1H2NR1H3CPT1ACYP2C9
SCHEMBL2001013 0.86 RORC (0.51) RORCCPT1ACYP2C9MEN1KMT2A
SCHEMBL2002159 0.84 RORC (0.53) RORCNR1H2NR1H3CPT1ACYP2C9
SCHEMBL1999081 0.84 RORC (0.57) RORCNR1H2NR1H3CPT1ACYP2C9
SCHEMBL2006093 0.82 CNR1 (0.59) RORCNR1H2NR1H3CPT1AMEN1
SCHEMBL2001755 0.81 RORC (0.55) RORCNR1H2NR1H3CPT1ACYP2C9
SCHEMBL2002521 0.81 RORC (0.55) RORCNR1H2NR1H3CPT1ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 RORC 122/4885NR1H2 208/4885NR1H3 328/4885

“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.