SCHEMBL2000693

SCHEMBL2000693

CC(C)(C)c1ccc(S(=O)(=O)N2CCOc3ncc(C(=O)O)cc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.50
RORC P51449 5/20 0.45
NR1H3 Q13133 2/20 0.44
NR1H2 P55055 1/20 0.43
CYP2C9 P11712 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CPT2 P23786 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GBA1 P04062 1/20 0.38
HSD11B1 P28845 1/20 0.37
MCL1 Q07820 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
SCHEMBL2002839 0.91 RORC (0.48) CPT1ARORCNR1H3NR1H2CYP2C9
SCHEMBL2002971 0.88 CPT1A (0.49) CPT1ARORCNR1H3NR1H2CYP2C9
SCHEMBL2007284 0.87 CPT1A (0.52) CPT1ARORCNR1H3CYP2C9MEN1
SCHEMBL2001670 0.86 RORC (0.58) CPT1ARORCNR1H3NR1H2CYP2C9
SCHEMBL2001536 0.86 RORC (0.58) CPT1ARORCCYP2C9MEN1KMT2A
SCHEMBL12569922 0.85 CPT1A (0.54) CPT1ARORCCYP2C9MEN1KMT2A
SCHEMBL12569968 0.84 CYP11B1 (0.47) CPT1ARORCNR1H3NR1H2CYP2C9
SCHEMBL2005380 0.82 CPT1A (0.49) CPT1ARORCNR1H3CYP2C9MEN1
SCHEMBL2002807 0.82 RORC (0.60) CPT1ARORCNR1H3NR1H2CYP2C9
SCHEMBL2005185 0.82 CPT1A (0.51) CPT1ARORCCYP2C9MEN1KMT2A

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 122/4885NR1H3 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.