SCHEMBL1997442

SCHEMBL1997442

COC(=O)c1cnc2c(c1)N(S(=O)(=O)Cl)CCO2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.50
CYP2C9 P11712 1/20 0.46
RORC P51449 4/20 0.39
P2RY12 Q9H244 2/20 0.36
CPT2 P23786 1/20 0.35
CPT1B Q92523 1/20 0.35
OGA O60502 1/20 0.35
ALPL P05186 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3CD O00329 1/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2002377 0.85 CPT1A (0.47) CPT1ACYP2C9ALDH1A1NPC1RAB9A
SCHEMBL12569914 0.85 KDM4E (0.44) CPT1ACYP2C9P2RY12OGAALPL
SCHEMBL2001117 0.84 CPT1A (0.56) CPT1ACYP2C9RORCCPT2NPC1
SCHEMBL12569920 0.82 RORC (0.57) CPT1ACYP2C9RORCALPLALDH1A1
SCHEMBL2000796 0.81 CYP2C9 (0.55) CPT1ACYP2C9RORC
SCHEMBL4565364 0.81 CYP2C9 (0.55) CPT1ACYP2C9RORCNPC1
SCHEMBL2002383 0.80 CPT1A (0.43) CPT1ACYP2C9RORCALDH1A1MAPK1
SCHEMBL2004965 0.75 HDAC1 (0.46) CPT1ACYP2C9
SCHEMBL2003739 0.74 CPT1A (0.47) CPT1ACYP2C9RORCCPT2CPT1B
SCHEMBL1999908 0.73 CPT1A (0.47) CPT1ACYP2C9RORCCPT2CPT1B

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 8 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
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 3067/4885CYP2C9 346/4885RORC 122/4885

“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.