SCHEMBL1996982

SCHEMBL1996982

COc1ccc(S(=O)(=O)N2CCOc3ncc(C(=O)NCC(C)(C)O)cc32)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 11/20 0.50
RORC P51449 4/20 0.40
HTR6 P50406 1/20 0.40
POLB P06746 1/20 0.38
CPT1B Q92523 7/20 0.38
CPT2 P23786 6/20 0.38
HPGDS O60760 2/20 0.37
CFTR P13569 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
SCHEMBL2002438 0.90 CPT1A (0.47) CPT1ARORCHTR6CPT1BCPT2
SCHEMBL2001121 0.89 CPT1A (0.55) CPT1ARORCCPT1BCPT2
SCHEMBL2010123 0.87 CPT1A (0.50) CPT1ARORCHTR6POLBCPT1B
SCHEMBL1999291 0.85 CPT1A (0.55) CPT1ARORCHTR6POLBCPT1B
SCHEMBL2005371 0.85 CPT1A (0.53) CPT1ARORCCPT1BCPT2
SCHEMBL1999909 0.83 RORC (0.55) CPT1ARORCCPT1BCPT2
SCHEMBL2005281 0.81 RORC (0.53) CPT1ARORC
SCHEMBL2009465 0.80 CPT1A (0.57) CPT1ARORCPOLBCPT1BCPT2
SCHEMBL2002229 0.78 CPT1A (0.49) CPT1ARORCCPT1BCPT2
SCHEMBL2002521 0.77 RORC (0.55) CPT1ARORC

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 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-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 CPT1A 3067/4885RORC 122/4885HTR6 503/4885

“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.