SCHEMBL2000796

SCHEMBL2000796

COC(=O)c1cnc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.55
CPT1A P50416 2/20 0.47
RORC P51449 5/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
NR1H3 Q13133 2/20 0.43
NR1H2 P55055 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 2/20 0.43
CNR1 P21554 1/20 0.42
EPHX2 P34913 1/20 0.42
CYP11B1 P15538 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL4565364 0.90 CYP2C9 (0.55) CYP2C9CPT1ARORCPSEN1PSEN2
SCHEMBL12569920 0.90 RORC (0.57) CYP2C9CPT1ARORCNR1H3NR1H2
SCHEMBL2001117 0.88 CPT1A (0.56) CYP2C9CPT1ARORCNR1H3MAPT
SCHEMBL2002839 0.88 RORC (0.48) CYP2C9CPT1ARORCNR1H3NR1H2
SCHEMBL2000444 0.87 RORC (0.49) CYP2C9CPT1ARORCNR1H3NR1H2
SCHEMBL2004004 0.87 RORC (0.47) CYP2C9CPT1ARORCNR1H3NR1H2
SCHEMBL2003116 0.87 CPT1A (0.48) CYP2C9CPT1ARORCNR1H3NR1H2
SCHEMBL2001074 0.86 CPT1A (0.47) CYP2C9CPT1ARORCNR1H3NR1H2
SCHEMBL2009528 0.84 RORC (0.45) CYP2C9CPT1ARORCNR1H3NR1H2
SCHEMBL2002539 0.84 RORC (0.44) CYP2C9CPT1ARORCNR1H3NR1H2

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 2 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-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 CYP2C9 346/4885CPT1A 3067/4885RORC 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.