SCHEMBL2005665

SCHEMBL2005665

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
ACKR3 P25106 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
CPT1A P50416 2/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
RORC P51449 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
STAT3 P40763 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 1/20 0.33
PIK3CA P42336 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HDAC4 P56524 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
SCHEMBL2001814 0.93 CNR1 (0.40) HSD17B10HIF1AEPAS1CPT1AALDH1A1
SCHEMBL2008902 0.91 CPT1A (0.35) HSD17B10HIF1AEPAS1CPT1AALDH1A1
SCHEMBL2008087 0.90 HDAC4 (0.45) HIF1AEPAS1CPT1AALDH1A1GAA
SCHEMBL2002698 0.90 HIF1A (0.34) HSD17B10HIF1AEPAS1CPT1AALDH1A1
SCHEMBL2002907 0.89 HDAC4 (0.44) HTTHIF1AEPAS1CPT1AALDH1A1
SCHEMBL1999329 0.85 RORC (0.36) HIF1AEPAS1CPT1ARORC
SCHEMBL2001763 0.83 CNR2 (0.34) HIF1AEPAS1ALDH1A1GAALMNA
SCHEMBL2004000 0.82 EGFR (0.37) HSD17B10CPT1AALDH1A1GAAEGFR
SCHEMBL1999725 0.82 HTT (0.48) HTTCPT1ARORCLMNAMAPT
SCHEMBL1995266 0.81 DGAT2 (0.33) HIF1AEPAS1CPT1AGAAMAPT

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 HTT 3400/4885ACKR3 99/4885HSD17B10 3023/4885

“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.