SCHEMBL1997441

SCHEMBL1997441

CC1CCN(S(=O)(=O)N2CCOc3ncc(C(=O)O)cc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.43
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NR4A1 P22736 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
USP2 O75604 1/20 0.34
NPC1 O15118 2/20 0.34
MITF O75030 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 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
SCHEMBL2005390 0.90 CPT1A (0.42) CPT1APOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL2002060 0.88 CPT1A (0.44) CPT1AKMT2AMEN1POLBSMN1; SMN2
SCHEMBL1999582 0.87 CPT1A (0.41) CPT1AKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL2003877 0.87 CPT1A (0.45) CPT1AKDM4EPOLBSMN1; SMN2LMNA
SCHEMBL2000724 0.86 CPT1A (0.44) CPT1APOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL2008008 0.86 CPT1A (0.44) CPT1AKMT2AMEN1POLBSMN1; SMN2
SCHEMBL2005066 0.86 CPT1A (0.42) CPT1AKDM4EGAAALDH1A1HPGD
SCHEMBL2000863 0.86 CPT1A (0.43) CPT1A
SCHEMBL2002514 0.86 CPT1A (0.45) CPT1AKMT2AMEN1THRBNPC1
SCHEMBL2001311 0.83 CPT1A (0.43) CPT1AKMT2AMEN1KDM4EHSD17B10

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 3067/4885KMT2A 3804/4885MEN1 4453/4885

“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.