Sugi Predict

Sugi Predict / Compounds / SCHEMBL2002383

SCHEMBL2002383

SCHEMBL2002383

COC(=O)c1cnc2c(c1)N(S(=O)(=O)N1CCC(C(F)(F)F)CC1)CCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPT1A P50416 2/20 0.43
▸ CYP2C9 P11712 1/20 0.39
▸ RORC P51449 5/20 0.38
▸ KCNT1 Q5JUK3 2/20 0.37
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGDS O60760 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ TSHR P16473 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ VNN1 O95497 1/20 0.32

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
SCHEMBL1999582 0.88 CPT1A (0.41) CPT1ACYP2C9RORCKCNT1SMN1; SMN2
SCHEMBL2001377 0.87 CPT1A (0.44) CPT1ARORCKCNT1HPGDS
SCHEMBL2002377 0.86 CPT1A (0.47) CPT1ACYP2C9LMNASMN1; SMN2ALDH1A1
SCHEMBL2002327 0.84 CPT1A (0.42) CPT1ARORCHPGDS
SCHEMBL2006404 0.84 CPT1A (0.42) CPT1ARORCLMNAHPGDSKDM4E
SCHEMBL2003873 0.82 CPT1A (0.41) CPT1ARORCMAPT
SCHEMBL2000336 0.81 SMN1; SMN2 (0.44) CPT1ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL2003078 0.80 CPT1A (0.42) CPT1ACYP2C9ALDH1A1
SCHEMBL1997442 0.80 CPT1A (0.50) CPT1ACYP2C9RORCALDH1A1KMT2A
SCHEMBL1998105 0.79 CPT1A (0.45) CPT1ARORCSMN1; SMN2HPGDSALDH1A1

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 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
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 CPT1A 3067/4885CYP2C9 346/4885RORC 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.