SCHEMBL2000427

SCHEMBL2000427

O=C(O)c1cnc2c(c1)N(S(=O)(=O)N1Cc3ccccc3C1)CCO2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.46
CPT1A P50416 2/20 0.45
AKR1C1 Q04828 4/20 0.42
ALDH1A1 P00352 1/20 0.42
RORC P51449 4/20 0.37
MGAM O43451 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NR1H3 Q13133 1/20 0.35
USP9X Q93008 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
SCHEMBL2002060 0.86 CPT1A (0.44) AKR1C3CPT1AALDH1A1RORCMGAM
SCHEMBL2003877 0.85 CPT1A (0.45) AKR1C3CPT1AALDH1A1RORCMGAM
SCHEMBL2000724 0.85 CPT1A (0.44) CPT1AALDH1A1RORC
SCHEMBL2008008 0.85 CPT1A (0.44) CPT1AALDH1A1RORCMGAMMEN1
SCHEMBL2005427 0.85 CPT1A (0.49) AKR1C3CPT1AALDH1A1RORCMEN1
SCHEMBL2000863 0.83 CPT1A (0.43) CPT1A
SCHEMBL2007284 0.83 CPT1A (0.52) AKR1C3CPT1AAKR1C1RORCMEN1
SCHEMBL2005390 0.82 CPT1A (0.42) CPT1AALDH1A1RORCMGAM
SCHEMBL1997441 0.81 CPT1A (0.43) CPT1AALDH1A1MEN1KMT2A
SCHEMBL4238185 0.81 CPT1A (0.42) CPT1ARORCMGAMNR1H3

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 AKR1C3 431/4885CPT1A 3067/4885AKR1C1 641/4885

“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.