Sugi Predict

Sugi Predict / Compounds / SCHEMBL1104549

SCHEMBL1104549

SCHEMBL1104549

COC(=O)[C@]1(C)CC[C@H](c2ccc(OCc3ccccc3F)c(OC)c2)N1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.52
▸ SCN3A Q9NY46 2/20 0.52
▸ PRMT5 O14744 1/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ TRPC6 Q9Y210 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PDE4B Q07343 2/20 0.38
▸ NOX1 Q9Y5S8 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ PARP15 Q460N3 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36

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
SCHEMBL484118 0.93 KCNH2 (0.52) KCNH2SCN3APRMT5KMT2ATRPC6
SCHEMBL482955 0.93 KCNH2 (0.52) KCNH2SCN3APRMT5KMT2ATRPC6
SCHEMBL483579 0.93 KCNH2 (0.56) KCNH2SCN3APRMT5KMT2ATRPC6
SCHEMBL1104556 0.90 KCNH2 (0.50) KCNH2SCN3APRMT5KMT2ATRPC6
SCHEMBL1104545 0.90 KCNH2 (0.50) KCNH2SCN3APRMT5KMT2ATRPC6
SCHEMBL483794 0.85 KCNH2 (0.51) KCNH2SCN3APRMT5KMT2ATRPC6
SCHEMBL483667 0.85 KCNH2 (0.54) KCNH2SCN3APRMT5KMT2ATRPC6
SCHEMBL2833224 0.83 KCNH2 (0.57) KCNH2SCN3APRMT5KMT2ATRPC6
SCHEMBL2835713 0.82 KCNH2 (0.61) KCNH2SCN3APRMT5KMT2ATRPC6
SCHEMBL310675 0.80 KCNH2 (0.55) KCNH2SCN3APARP15PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 — — US disclosed
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 — — US disclosed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 — — EP disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 — — US disclosed
US-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 — — US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 — — US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 — — US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 — — US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 — — US disclosed
WO-2007042240-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2007-04-19 — — 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 (2 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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 KCNH2 3260/4885SCN3A 2696/4885PRMT5 3104/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B KCNH2 15/4885SCN3A 11/4885PRMT5 319/4885

“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.