SCHEMBL2010810

SCHEMBL2010810

O=C(O)c1cnc2c(c1)N(S(=O)(=O)c1ccccc1F)CCO2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.52
HTR6 P50406 7/20 0.50
RORC P51449 5/20 0.48
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
CPT2 P23786 1/20 0.39
MET P08581 1/20 0.39
PKM P14618 1/20 0.39
PKLR P30613 1/20 0.39
NR1H3 Q13133 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
SCHEMBL2001658 0.88 CPT1A (0.50) CPT1AHTR6RORCPOLBCPT2
SCHEMBL2006104 0.87 CPT1A (0.59) CPT1ARORCPOLBALDH1A1CPT2
SCHEMBL2002771 0.86 CPT1A (0.54) CPT1AHTR6RORCPOLBALDH1A1
SCHEMBL2007284 0.85 CPT1A (0.52) CPT1AHTR6RORCCYP2D6CYP2C19
SCHEMBL2007206 0.85 CPT1A (0.51) CPT1AHTR6RORCALDH1A1TSHR
SCHEMBL2004298 0.85 CPT1A (0.53) CPT1ARORCPOLBCPT2NR1H3
SCHEMBL1999291 0.84 CPT1A (0.55) CPT1AHTR6RORCPOLBCPT2
SCHEMBL2001514 0.84 CPT1A (0.50) CPT1AHTR6RORCALDH1A1
SCHEMBL2002807 0.83 RORC (0.60) CPT1ARORCCPT2NR1H3
SCHEMBL2001670 0.83 RORC (0.58) CPT1AHTR6RORCNR1H3

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 3067/4885HTR6 503/4885RORC 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.