SCHEMBL2002807

SCHEMBL2002807

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.60
CPT1A P50416 6/20 0.49
KMT2A Q03164 1/20 0.45
CPT2 P23786 4/20 0.42
CPT1B Q92523 2/20 0.42
NR1H3 Q13133 2/20 0.39
NR1H2 P55055 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP3A4 P08684 1/20 0.37
MAPT P10636 2/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
ALDH3A1 P30838 1/20 0.37

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
SCHEMBL2002412 0.91 RORC (0.57) RORCCPT1AKMT2ACPT2CPT1B
SCHEMBL2001670 0.89 RORC (0.58) RORCCPT1AKMT2ANR1H3NR1H2
SCHEMBL2005487 0.88 CPT1A (0.57) RORCCPT1ACPT2CPT1BCYP2C9
SCHEMBL2001536 0.87 RORC (0.58) RORCCPT1AKMT2ACPT2CPT1B
SCHEMBL2001468 0.86 RORC (0.51) RORCCPT1ACPT2CPT1BNR1H3
SCHEMBL2007284 0.85 CPT1A (0.52) RORCCPT1AKMT2ACPT2NR1H3
SCHEMBL2005185 0.85 CPT1A (0.51) RORCCPT1AKMT2ACPT2CPT1B
SCHEMBL2002839 0.85 RORC (0.48) RORCCPT1ACPT2CPT1BNR1H3
SCHEMBL2007152 0.84 MCL1 (0.54) RORCCPT1ACPT2AKR1C3AKR1C1
SCHEMBL2005083 0.84 CPT1A (0.59) RORCCPT1ACPT2CPT1BAKR1C3

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 7 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-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 3067/4885KMT2A 3804/4885

“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.