SCHEMBL2000336

SCHEMBL2000336

CC(C)(C)c1cc(NC(=O)c2cnc3c(c2)N(S(=O)(=O)N2CCC(C(F)(F)F)CC2)CCO3)no1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CPT1A P50416 2/20 0.43
CNR2 P34972 14/20 0.41
CNR1 P21554 10/20 0.41
MAPT P10636 1/20 0.40
FLT3 P36888 1/20 0.39

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
SCHEMBL2001736 0.88 CPT1A (0.47) SMN1; SMN2LMNAALDH1A1CPT1ACNR2
SCHEMBL2003078 0.86 CPT1A (0.42) ALDH1A1CPT1ACNR2CNR1
SCHEMBL2007219 0.85 CPT1A (0.45) SMN1; SMN2LMNAALDH1A1CPT1ACNR2
SCHEMBL2001377 0.85 CPT1A (0.44) CPT1ACNR2
SCHEMBL2002327 0.82 CPT1A (0.42) CPT1ACNR2CNR1
SCHEMBL2006404 0.82 CPT1A (0.42) LMNAALDH1A1CPT1A
SCHEMBL2002383 0.81 CPT1A (0.43) SMN1; SMN2LMNAALDH1A1CPT1AMAPT
SCHEMBL1999582 0.81 CPT1A (0.41) SMN1; SMN2ALDH1A1CPT1ACNR1MAPT
SCHEMBL2003873 0.80 CPT1A (0.41) CPT1ACNR2MAPT
SCHEMBL13670217 0.78 CPT1A (0.43) LMNAALDH1A1CPT1ACNR2CNR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960377-B2 Substituted pyridoxazines CARA THERAPEUTICS, INC. (US) 2011-06-14 US claimed
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 SMN1; SMN2 4017/4885LMNA 3572/4885ALDH1A1 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.