SCHEMBL1999329

SCHEMBL1999329

CC(C)(N)CNC(=O)c1cnc2c(c1)N([S+]([O-])c1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 14/20 0.36
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
CFTR P13569 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
EPHX2 P34913 1/20 0.34
CPT1A P50416 1/20 0.33

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
SCHEMBL2008902 0.87 CPT1A (0.35) RORCHIF1AEPAS1CPT1A
SCHEMBL2001814 0.85 CNR1 (0.40) RORCHIF1AEPAS1CPT1A
SCHEMBL2005665 0.85 HTT (0.37) RORCHIF1AEPAS1CPT1A
SCHEMBL2008087 0.83 HDAC4 (0.45) RORCHIF1AEPAS1EPHX2CPT1A
SCHEMBL2002698 0.82 HIF1A (0.34) RORCHIF1AEPAS1CPT1A
SCHEMBL2004376 0.82 CPT1A (0.45) RORCEPHX2CPT1A
SCHEMBL2002907 0.82 HDAC4 (0.44) HIF1AEPAS1EPHX2CPT1A
SCHEMBL1999403 0.82 SCN9A (0.36) HIF1AEPAS1
SCHEMBL1995266 0.81 DGAT2 (0.33) HIF1AEPAS1CPT1A
SCHEMBL2001763 0.80 CNR2 (0.34) HIF1AEPAS1

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 RORC 122/4885HIF1A 2357/4885EPAS1 1260/4885

“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.