SCHEMBL2000724

SCHEMBL2000724

O=C(O)c1cnc2c(c1)N(S(=O)(=O)N1CCOCC1)CCO2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.44
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.41
PKM P14618 2/20 0.39
HTT P42858 1/20 0.38
PIK3CA P42336 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
RORC P51449 2/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL2002060 0.92 CPT1A (0.44) CPT1APOLBLMNASMN1; SMN2MAPT
SCHEMBL2008008 0.91 CPT1A (0.44) CPT1APOLBLMNAPKMSMN1; SMN2
SCHEMBL2005390 0.90 CPT1A (0.42) CPT1APOLBLMNAHTTSMN1; SMN2
SCHEMBL2003877 0.88 CPT1A (0.45) CPT1APOLBLMNAHTTSMN1; SMN2
SCHEMBL1997441 0.86 CPT1A (0.43) CPT1APOLBLMNAHTTSMN1; SMN2
SCHEMBL2002377 0.86 CPT1A (0.47) CPT1ALMNAPIK3CASMN1; SMN2MAPT
SCHEMBL4238185 0.86 CPT1A (0.42) CPT1APOLBRORC
SCHEMBL2000427 0.85 AKR1C3 (0.46) CPT1AALDH1A1RORC
SCHEMBL1999582 0.85 CPT1A (0.41) CPT1APOLBSMN1; SMN2MAPTCYP2C9
SCHEMBL2006076 0.84 CPT1A (0.47) CPT1ALMNASMN1; SMN2TDP1RORC

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 3067/4885POLB 3140/4885LMNA 3572/4885

“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.