Sugi Predict

Sugi Predict / Compounds / SCHEMBL1104534

SCHEMBL1104534

SCHEMBL1104534

COC(=O)[C@]1(CC(O)CO)CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.49
▸ SCN3A Q9NY46 8/20 0.46
▸ BTK Q06187 1/20 0.41
▸ SCN9A Q15858 2/20 0.41
▸ SCN1A P35498 1/20 0.41
▸ SCN4A P35499 1/20 0.41
▸ SCN7A Q01118 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ SCN8A Q9UQD0 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.41
▸ MAOB P27338 4/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ MMP1 P03956 2/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ KDM1A O60341 2/20 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
SCHEMBL10167095 0.91 KCNH2 (0.50) KCNH2SCN3ABTKSCN9ASCN1A
SCHEMBL1104552 0.90 KCNH2 (0.50) KCNH2SCN3ABTKSCN9ASCN1A
SCHEMBL8158715 0.87 KCNH2 (0.48) KCNH2SCN3ABTKSCN9ASCN1A
SCHEMBL1104533 0.87 KCNH2 (0.47) KCNH2SCN3ABTKSCN9ASCN1A
SCHEMBL1104541 0.87 KCNH2 (0.47) KCNH2SCN3ABTKSCN9ASCN1A
SCHEMBL1104561 0.87 KCNH2 (0.47) KCNH2SCN3ABTKSCN9ASCN1A
SCHEMBL1104547 0.85 KCNH2 (0.46) KCNH2SCN3ABTKSCN9ASCN1A
SCHEMBL483792 0.84 KCNH2 (0.51) KCNH2SCN3ABTKSCN9ASCN1A
SCHEMBL483294 0.83 KCNH2 (0.54) KCNH2SCN3ABTKSCN9ASCN1A
SCHEMBL310675 0.82 KCNH2 (0.55) KCNH2SCN3ABTKSCN9ASCN1A

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 19 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
US-8093268-B2 Pharmaceutical compositions comprising 2-methoxy-5-(5-trifluoromethyl-tetrazol-1-yl-benzyl)-(2S-phenylpiperidin-3S-yl-) GLAXO GROUP LIMITED (GB) 2012-01-10 — — US disclosed
US-8093268-B2 Pharmaceutical compositions comprising 2-methoxy-5-(5-trifluoromethyl-tetrazol-1-yl-benzyl)-(2S-phenylpiperidin-3S-yl-) GLAXO GROUP LIMITED (GB) 2012-01-10 — — US disclosed
EP-2117562-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LTD (GB) 2011-10-26 — — 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-20100113521-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL-BENZYL)-(2S-PHENYLPIPERIDIN-3S-YL-) GLAXO GROUP LIMITED (GB) 2010-05-06 — — US disclosed
US-20100113521-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL-BENZYL)-(2S-PHENYLPIPERIDIN-3S-YL-) GLAXO GROUP LIMITED (GB) 2010-05-06 — — US disclosed
US-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 GLAXO GROUP LIMITED (GB) 2010-04-29 — — US disclosed
US-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 GLAXO GROUP LIMITED (GB) 2010-04-29 — — US disclosed
US-20090326032-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2009-12-31 — — US disclosed
US-20090326032-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2009-12-31 — — US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 — — US disclosed
WO-2008090117-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3, 5-DIAMIN0-6- (2, 3-DICHL0PHENYL) -L, 2, 4-TRIAZINE OR R (-) -2, 4-DIAMINO-5- (2, 3-DICHLOROPHENYL) -6-FLUOROMETHYL PYRIMIDINE AND AN NK1 GLAXO GROUP LIMITED (GB) 2008-07-31 — — WO disclosed
WO-2008090114-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5- (5-TRIFLUOROMETHYL-TETRAZOL-I-YL-BENZYL) - (2S-PHENYL-PIPERIDIN-3S-YL-) GLAXO GROUP LIMITED (GB) 2008-07-31 — — WO disclosed
WO-2008090115-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2008-07-31 — — WO 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 (5 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-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 KCNJ2, SCN5A, GRIK5 KCNH2 7/4885SCN3A 63/4885BTK 4035/4885
US-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 KCNH2 3260/4885SCN3A 2696/4885BTK 4094/4885
US-20100113521-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL-BENZYL)-(2S-PHENYLPIPERIDIN-3S-YL-) KCNJ2, TRPV1, SCN5A KCNH2 11/4885SCN3A 40/4885BTK 3365/4885
US-20090326032-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS TACR2, TACR1, KCNH3 KCNH2 5/4885SCN3A 35/4885BTK 3671/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B KCNH2 15/4885SCN3A 11/4885BTK 1182/4885

“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.