SCHEMBL2002489

SCHEMBL2002489

CCC(CO)(CO)NC(=O)c1cnc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.44
CPT1A P50416 2/20 0.43
MAPT P10636 2/20 0.41
NR1H3 Q13133 2/20 0.39
NR1H2 P55055 1/20 0.39
CYP2C9 P11712 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
EPHX2 P34913 1/20 0.38
TRPV4 Q9HBA0 2/20 0.37
BRD4 O60885 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
SCHEMBL2005029 0.90 CPT1A (0.46) RORCCPT1AMAPTNR1H3NR1H2
SCHEMBL1999725 0.90 HTT (0.48) RORCCPT1AMAPTNR1H3NR1H2
SCHEMBL2003116 0.88 CPT1A (0.48) RORCCPT1AMAPTNR1H3NR1H2
SCHEMBL2008648 0.85 CPT1A (0.45) RORCCPT1AMAPTNR1H3NR1H2
SCHEMBL2001369 0.83 HDAC4 (0.45) RORCCPT1AMAPTNR1H3NR1H2
SCHEMBL1997405 0.83 CPT1A (0.43) RORCCPT1AMAPTHDAC4EPHX2
SCHEMBL2006808 0.83 HDAC4 (0.45) RORCCPT1AMAPTNR1H3NR1H2
SCHEMBL2002698 0.82 HIF1A (0.34) RORCCPT1AMAPT
SCHEMBL2004376 0.82 CPT1A (0.45) RORCCPT1AMAPTNR1H3NR1H2
SCHEMBL2001074 0.82 CPT1A (0.47) RORCCPT1AMAPTNR1H3NR1H2

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
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 RORC 122/4885CPT1A 3067/4885MAPT 1750/4885

“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.