SCHEMBL2008902

SCHEMBL2008902

CC(C)(C)NC(=O)c1cnc2c(c1)N([S+]([O-])c1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.35
HPGDS O60760 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
P2RY14 Q15391 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
STAT3 P40763 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PIK3CA P42336 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2005665 0.91 HTT (0.37) CPT1AALDH1A1GAASMN1; SMN2MAPT
SCHEMBL2001814 0.91 CNR1 (0.40) CPT1AALDH1A1GAASMN1; SMN2MAPT
SCHEMBL2004000 0.90 EGFR (0.37) CPT1AHPGDSALDH1A1GAAHDAC3
SCHEMBL2008087 0.88 HDAC4 (0.45) CPT1AALDH1A1GAAHIF1AEPAS1
SCHEMBL2002698 0.88 HIF1A (0.34) CPT1AALDH1A1GAASMN1; SMN2MAPT
SCHEMBL2002907 0.87 HDAC4 (0.44) CPT1AALDH1A1GAAMAPTHIF1A
SCHEMBL1999329 0.87 RORC (0.36) CPT1AHIF1AEPAS1RORC
SCHEMBL2007466 0.86 RORC (0.38) CPT1AHIF1AEPAS1HDAC3HDAC1
SCHEMBL2000002 0.82 HPGD (0.47) ALDH1A1POLBKDM4EPIK3CAHSD17B10
SCHEMBL2007330 0.82 EPHX2 (0.47) ALDH1A1SMN1; SMN2POLBALOX5APFEN1

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 2 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-20090247502-A1 SUBSTITUTED PYRIDOXAZINES CARA THERAPEUTICS, INC. (US) 2009-10-01 US 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 3067/4885HPGDS 372/4885ALDH1A1 2053/4885

“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.