SCHEMBL2001969

SCHEMBL2001969

O=C(O)c1cnc2c(c1)N(S(=O)(=O)c1cccnc1)CCO2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.47
RORC P51449 4/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CPT2 P23786 1/20 0.43
NAMPT P43490 1/20 0.42
NR1H3 Q13133 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1C3 P42330 3/20 0.40
AKR1C1 Q04828 1/20 0.40
NAPRT Q6XQN6 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C9 P11712 1/20 0.38

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
SCHEMBL2007284 0.91 CPT1A (0.52) CPT1ARORCCYP11B1CYP11B2CPT2
SCHEMBL2005083 0.85 CPT1A (0.59) CPT1ARORCCYP11B1CYP11B2CPT2
SCHEMBL2001468 0.85 RORC (0.51) CPT1ARORCCYP11B1CYP11B2CPT2
SCHEMBL2002774 0.85 CPT1A (0.49) CPT1ARORCCYP11B1CYP11B2CPT2
SCHEMBL2003578 0.85 CPT1A (0.42) CPT1ARORCKDM4ECYP11B1CYP11B2
SCHEMBL2002172 0.85 CPT1A (0.50) CPT1ARORCKDM4ECPT2NAMPT
SCHEMBL2001536 0.83 RORC (0.58) CPT1ARORCCYP11B1CYP11B2CPT2
SCHEMBL2001670 0.83 RORC (0.58) CPT1ARORCCYP11B1CYP11B2NR1H3
SCHEMBL2002709 0.83 GAA (0.46) CPT1ARORCNAMPTSMN1; SMN2
SCHEMBL2002466 0.83 CYP11B1 (0.48) CPT1ARORCCYP11B1CYP11B2CPT2

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 CPT1A 3067/4885RORC 122/4885KDM4E 3027/4885

“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.