SCHEMBL2005185

SCHEMBL2005185

O=C(O)c1cnc2c(c1)N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CCO2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 5/20 0.51
RORC P51449 4/20 0.51
CPT2 P23786 3/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
CPT1B Q92523 2/20 0.42
TSHR P16473 3/20 0.41
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL2001013 0.92 RORC (0.51) CPT1ARORCCPT2KMT2AMEN1
SCHEMBL2002412 0.91 RORC (0.57) CPT1ARORCCPT2KMT2AMEN1
SCHEMBL2001536 0.89 RORC (0.58) CPT1ARORCCPT2KMT2AMEN1
SCHEMBL2006852 0.88 CPT1A (0.61) CPT1ARORCCPT2KMT2AMEN1
SCHEMBL1997063 0.88 RORC (0.48) CPT1ARORCKMT2AMEN1TSHR
SCHEMBL2005083 0.86 CPT1A (0.59) CPT1ARORCCPT2CPT1B
SCHEMBL1999998 0.86 CPT1A (0.53) CPT1ARORCCPT2CPT1BCYP2C9
SCHEMBL2007284 0.85 CPT1A (0.52) CPT1ARORCCPT2KMT2AMEN1
SCHEMBL2004707 0.85 RORC (0.46) CPT1ARORCCPT2KMT2AMEN1
SCHEMBL1999577 0.85 CPT1A (0.51) CPT1ARORCCPT2KMT2AMEN1

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 122/4885CPT2 4070/4885

“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.