SCHEMBL2002196

SCHEMBL2002196

Cc1cccc(CS(=O)(=O)N2CCOc3ncc(C(=O)O)cc32)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.43
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
GRM4 Q14833 1/20 0.39
NAAA Q02083 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
CPT1B Q92523 1/20 0.37
RORC P51449 4/20 0.37
EGLN1 Q9GZT9 1/20 0.37
AKR1C3 P42330 1/20 0.36

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
SCHEMBL2001347 0.90 CPT1A (0.46) CPT1AALDH1A1KMT2ARORC
SCHEMBL1998755 0.87 CPT1A (0.44) CPT1AALDH1A1KMT2AGRM4CPT1B
SCHEMBL2002774 0.84 CPT1A (0.49) CPT1AKMT2ACPT1BRORCAKR1C3
SCHEMBL2003739 0.83 CPT1A (0.47) CPT1ACPT1BRORC
SCHEMBL2001629 0.82 RORC (0.44) CPT1AALDH1A1KMT2ARORCEGLN1
SCHEMBL1999917 0.82 CPT1A (0.51) CPT1AGRM4CPT1BRORCEGLN1
SCHEMBL2002650 0.81 CPT1A (0.42) CPT1AALDH1A1GRM4RORCEGLN1
SCHEMBL1999572 0.80 CPT1A (0.45) CPT1AALDH1A1CPT1BRORC
SCHEMBL2001350 0.79 CPT1A (0.45) CPT1ACPT1BRORC
SCHEMBL2005529 0.78 CPT1A (0.51) CPT1AALDH1A1KMT2ARORC

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 3067/4885ALDH1A1 2053/4885KMT2A 3804/4885

“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.