SCHEMBL2005083

SCHEMBL2005083

O=C(O)c1cnc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1)CCO2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 8/20 0.59
CPT2 P23786 4/20 0.59
RORC P51449 6/20 0.52
CPT1B Q92523 5/20 0.51
HTR6 P50406 1/20 0.50
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
AKR1C3 P42330 2/20 0.43
AKR1C1 Q04828 1/20 0.43
MMP2 P08253 1/20 0.43

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
SCHEMBL1999998 0.89 CPT1A (0.53) CPT1ACPT2RORCCPT1BHTR6
SCHEMBL2007284 0.89 CPT1A (0.52) CPT1ACPT2RORCHTR6CYP11B1
SCHEMBL2001536 0.88 RORC (0.58) CPT1ACPT2RORCCPT1BHTR6
SCHEMBL2002774 0.88 CPT1A (0.49) CPT1ACPT2RORCCPT1BCYP11B1
SCHEMBL2001468 0.88 RORC (0.51) CPT1ACPT2RORCCPT1BHTR6
SCHEMBL2005185 0.86 CPT1A (0.51) CPT1ACPT2RORCCPT1B
SCHEMBL2002412 0.86 RORC (0.57) CPT1ACPT2RORCCPT1B
SCHEMBL2002466 0.86 CYP11B1 (0.48) CPT1ACPT2RORCCPT1BCYP11B1
SCHEMBL2003731 0.86 CPT1A (0.57) CPT1ACPT2RORCCPT1BHTR6
SCHEMBL2001969 0.85 CPT1A (0.47) CPT1ACPT2RORCCYP11B1CYP11B2

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 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

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 CPT1A 3067/4885CPT2 4070/4885RORC 122/4885

“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.