SCHEMBL2004000

SCHEMBL2004000

CC(C)(C)NC(=O)c1cnc2c(c1)N([S+]([O-])c1cccc(C(F)(F)F)c1)CCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.37
VNN1 O95497 2/20 0.36
RAF1 P04049 6/20 0.36
BRAF P15056 6/20 0.36
CPT1A P50416 1/20 0.36
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
KDR P35968 1/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
HPGDS O60760 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL2008902 0.90 CPT1A (0.35) CPT1AKDM4EPOLBALDH1A1HSD17B10
SCHEMBL2005665 0.82 HTT (0.37) EGFRCPT1AALDH1A1HSD17B10GAA
SCHEMBL2001814 0.82 CNR1 (0.40) CPT1APOLBALDH1A1HSD17B10GAA
SCHEMBL2007466 0.81 RORC (0.38) CPT1AHDAC3HDAC1HDAC2HDAC6
SCHEMBL2008087 0.79 HDAC4 (0.45) CPT1AKDRALDH1A1GAA
SCHEMBL2002698 0.79 HIF1A (0.34) EGFRCPT1APOLBALDH1A1HSD17B10
SCHEMBL2002907 0.78 HDAC4 (0.44) CPT1AKDRKDM4EALDH1A1HPGD
SCHEMBL2002074 0.78 CPT1A (0.48) CPT1A
SCHEMBL1999329 0.78 RORC (0.36) CPT1A
SCHEMBL1999403 0.75 SCN9A (0.36) POLBALDH1A1GAAHDAC3HDAC1

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 EGFR 528/4885VNN1 2275/4885RAF1 1389/4885

“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.