SCHEMBL2002214

SCHEMBL2002214

O=C(O)CC1CCCCN1C(=O)c1cnc2c(c1)N(S(=O)(=O)c1ccc(C(F)(F)F)cc1)CCO2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
RORC P51449 4/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
BRD4 O60885 4/20 0.38
BRD2 P25440 4/20 0.38
BRD3 Q15059 3/20 0.38
BRDT Q58F21 3/20 0.38
NR1H3 Q13133 2/20 0.37
NR1H2 P55055 1/20 0.37
CPT1A P50416 2/20 0.36
CYP11B1 P15538 1/20 0.36
SPHK2 Q9NRA0 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35

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
SCHEMBL4054289 0.92 BRD4 (0.45) RHOCRHOARORCALDH1A1LMNA
SCHEMBL12570152 0.92 RHOC (0.41) RHOCRHOARORCALDH1A1LMNA
SCHEMBL2004141 0.91 OPRD1 (0.47) RORCALDH1A1LMNABRD4BRD2
SCHEMBL12570153 0.89 RAB9A (0.40) RORCALDH1A1LMNABRD4BRD2
SCHEMBL12570314 0.89 RORC (0.39) RORCBRD4BRD2BRD3BRDT
SCHEMBL2006988 0.88 BRD4 (0.51) RORCALDH1A1LMNABRD4BRD2
SCHEMBL2011173 0.88 TDP1 (0.48) RORCALDH1A1BRD4NR1H3NR1H2
SCHEMBL13669971 0.88 TDP1 (0.48) RORCALDH1A1BRD4NR1H3NR1H2
SCHEMBL13670322 0.87 RORC (0.41) RORCBRD4BRD2BRD3BRDT
SCHEMBL2002378 0.87 LMNA (0.47) RORCLMNANR1H3NR1H2CPT1A

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 3 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-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 RHOC 4390/4885RHOA 4544/4885RORC 122/4885

“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.