SCHEMBL2005487

SCHEMBL2005487

COc1ccc(S(=O)(=O)N2CCOc3ncc(C(=O)O)cc32)cc1F

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 11/20 0.57
RORC P51449 4/20 0.49
CPT2 P23786 9/20 0.45
CPT1B Q92523 7/20 0.42
CYP2C9 P11712 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2006852 0.89 CPT1A (0.61) CPT1ARORCCPT2CPT1BLMNA
SCHEMBL2002807 0.88 RORC (0.60) CPT1ARORCCPT2CPT1BCYP2C9
SCHEMBL12569922 0.85 CPT1A (0.54) CPT1ARORCCYP2C9POLBLMNA
SCHEMBL2003554 0.85 CPT1A (0.53) CPT1ARORCCPT2CPT1BCYP2C9
SCHEMBL2005371 0.85 CPT1A (0.53) CPT1ARORCCPT2CPT1BCYP2C9
SCHEMBL2001670 0.84 RORC (0.58) CPT1ARORCCYP2C9
SCHEMBL2002412 0.83 RORC (0.57) CPT1ARORCCPT2CPT1BLMNA
SCHEMBL2001468 0.81 RORC (0.51) CPT1ARORCCPT2CPT1BHTT
SCHEMBL1999291 0.81 CPT1A (0.55) CPT1ARORCCPT2CPT1BPOLB
SCHEMBL2007284 0.81 CPT1A (0.52) CPT1ARORCCPT2CYP2C9

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.