SCHEMBL1996960

SCHEMBL1996960

O=C(NCC1CCCO1)c1cnc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCO2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
RORC P51449 3/20 0.51
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 5/20 0.45
PSMD14 O00487 1/20 0.45
STAMBP O95630 1/20 0.45
COPS5 Q92905 1/20 0.45
MEN1 O00255 3/20 0.45
ATM Q13315 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL2008950 0.86 RORC (0.53) SMN1; SMN2RORCHPGDALDH1A1LMNA
SCHEMBL2006093 0.83 CNR1 (0.59) RORCALDH1A1GAARAB9AKMT2A
SCHEMBL2002521 0.82 RORC (0.55) RORCALDH1A1CYP2C9
SCHEMBL2001755 0.82 RORC (0.55) RORCALDH1A1CYP2C9KMT2A
SCHEMBL2000929 0.80 RORC (0.54) SMN1; SMN2RORCLMNAHTT
SCHEMBL1997587 0.80 RORC (0.55) RORCHPGDALDH1A1CYP2C9HTT
SCHEMBL2001670 0.79 RORC (0.58) RORCCYP2C9KMT2AMEN1
SCHEMBL1999081 0.79 RORC (0.57) RORCCYP2C9
SCHEMBL2005182 0.78 RORC (0.60) RORCCYP2C9KMT2AMEN1
SCHEMBL12569920 0.78 RORC (0.57) RORCALDH1A1CYP2C9HTT

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 7 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-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 4017/4885RORC 122/4885HPGD 682/4885

“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.