SCHEMBL2005380

SCHEMBL2005380

O=C(O)c1cnc2c(c1)N(S(=O)(=O)c1ccc(Oc3ccccc3)cc1)CCO2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.49
RORC P51449 4/20 0.47
NPC1 O15118 1/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 2/20 0.45
MCL1 Q07820 3/20 0.43
BCL2L1 Q07817 1/20 0.43
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NR1H3 Q13133 1/20 0.41
NAAA Q02083 1/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
CPT2 P23786 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL2007284 0.90 CPT1A (0.52) CPT1ARORCKMT2AMCL1CYP2C9
SCHEMBL12569922 0.89 CPT1A (0.54) CPT1ARORCNPC1LMNASMN1; SMN2
SCHEMBL13670329 0.88 CPT1A (0.52) CPT1ARORCNPC1LMNASMN1; SMN2
SCHEMBL2004021 0.87 CPT1A (0.53) CPT1ARORCNPC1LMNASMN1; SMN2
SCHEMBL12569968 0.87 CYP11B1 (0.47) CPT1ARORCNPC1LMNACYP2C9
SCHEMBL2007152 0.87 MCL1 (0.54) CPT1ARORCSMN1; SMN2MCL1ALDH1A1
SCHEMBL2001670 0.85 RORC (0.58) CPT1ARORCKMT2ACYP2C9MEN1
SCHEMBL2001536 0.85 RORC (0.58) CPT1ARORCKMT2ACYP2C9MEN1
SCHEMBL2002839 0.83 RORC (0.48) CPT1ARORCCYP2C9NR1H3CPT2
SCHEMBL2000693 0.82 CPT1A (0.50) CPT1ARORCLMNAKMT2AMCL1

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 122/4885NPC1 1554/4885

“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.