SCHEMBL1997790

SCHEMBL1997790

CN(C)S(=O)(=O)N1CCN(C(=O)c2cnc3c(c2)N(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO3)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
RORC P51449 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CPT1A P50416 2/20 0.41
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MCOLN3 Q8TDD5 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
SCHEMBL2002827 0.91 RORC (0.45) POLBRORCSMN1; SMN2CPT1ALMNA
SCHEMBL2006124 0.89 RORC (0.46) RORCCPT1AALDH1A1MEN1KMT2A
SCHEMBL1997689 0.88 RORC (0.47) RORCSMN1; SMN2CPT1ALMNAL3MBTL1
SCHEMBL1997063 0.88 RORC (0.48) RORCCPT1AL3MBTL1ALDH1A1MAPT
SCHEMBL2003614 0.85 PKM (0.46) RORCSMN1; SMN2CPT1ALMNAL3MBTL1
SCHEMBL2005784 0.84 RORC (0.46) RORCCPT1AALDH1A1MAPTMEN1
SCHEMBL2004707 0.83 RORC (0.46) RORCCPT1AALDH1A1MAPTMEN1
SCHEMBL2005680 0.82 RORC (0.47) RORCCPT1AALDH1A1MAPTMEN1
SCHEMBL2011070 0.82 CPT1A (0.45) POLBRORCCPT1ALMNAMEN1
SCHEMBL12570214 0.82 PKM (0.56) POLBSMN1; SMN2LMNAALDH1A1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US claimed
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

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 POLB 3140/4885RORC 122/4885SMN1; SMN2 4017/4885

“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.