SCHEMBL2000515

SCHEMBL2000515

CNC(=O)[C@@H](N(C)C(=O)c1cnc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCO2)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.50
CPT1A P50416 2/20 0.43
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CYP2C9 P11712 1/20 0.37
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 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
SCHEMBL2000517 1.00 RORC (0.50) RORCCPT1ANR1H2NR1H3CYP2C9
SCHEMBL2003867 0.84 RORC (0.53) RORCCPT1ANR1H2NR1H3CYP2C9
SCHEMBL2003863 0.84 RORC (0.53) RORCCPT1ANR1H2NR1H3CYP2C9
SCHEMBL2002159 0.79 RORC (0.53) RORCCPT1ANR1H2NR1H3CYP2C9
SCHEMBL1999081 0.79 RORC (0.57) RORCCPT1ANR1H2NR1H3CYP2C9
SCHEMBL12569920 0.78 RORC (0.57) RORCCPT1ANR1H2NR1H3CYP2C9
SCHEMBL2001670 0.78 RORC (0.58) RORCCPT1ANR1H2NR1H3CYP2C9
SCHEMBL2002521 0.77 RORC (0.55) RORCCPT1ANR1H2NR1H3CYP2C9
SCHEMBL2005182 0.77 RORC (0.60) RORCCPT1ANR1H2NR1H3CYP2C9
SCHEMBL2002322 0.77 MAPT (0.51) RORCCPT1ANR1H2NR1H3ALDH1A1

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
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-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
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 122/4885CPT1A 3067/4885NR1H2 208/4885

“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.