SCHEMBL2003597

SCHEMBL2003597

CCOC(=O)c1noc(-c2cnc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCO3)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.48
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
GPR119 Q8TDV5 3/20 0.37
CYP2C9 P11712 1/20 0.37
POLB P06746 1/20 0.37
P2RY12 Q9H244 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CPT1A P50416 1/20 0.35
TRPA1 O75762 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PLAT P00750 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
SCHEMBL2002595 0.87 RORC (0.53) RORCNR1H2NR1H3GPR119CPT1A
SCHEMBL2001849 0.84 RORC (0.52) RORCNR1H2NR1H3GPR119CPT1A
SCHEMBL2002998 0.84 RORC (0.49) RORCNR1H2NR1H3GPR119POLB
SCHEMBL2005444 0.81 RORC (0.51) RORCNR1H2NR1H3GPR119POLB
SCHEMBL2001990 0.75 GPR119 (0.44) RORCNR1H3GPR119ALDH1A1CPT1A
SCHEMBL12569920 0.74 RORC (0.57) RORCNR1H2NR1H3CYP2C9ALDH1A1
SCHEMBL2005182 0.73 RORC (0.60) RORCNR1H2NR1H3CYP2C9CPT1A
SCHEMBL2008021 0.73 RORC (0.49) RORCNR1H2NR1H3POLBALDH1A1
SCHEMBL2002159 0.72 RORC (0.53) RORCNR1H2NR1H3CYP2C9ALDH1A1
SCHEMBL8825390 0.72 ALDH1A1 (0.53) POLBALDH1A1KDM4ELMNAMAPT

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 122/4885NR1H2 208/4885NR1H3 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.