SCHEMBL4158417

SCHEMBL4158417

CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2)C(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.49
TP53 P04637 2/20 0.49
KDM1A O60341 1/20 0.48
HTT P42858 1/20 0.47
MCHR1 Q99705 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
CYP3A4 P08684 1/20 0.43
VEGFA P15692 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
IDO2 Q6ZQW0 1/20 0.42
P2RX7 Q99572 1/20 0.41

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
SCHEMBL14103789 0.89 VEGFA (0.53) TP53KDM1AHTTHDAC1HDAC6
SCHEMBL20129614 0.89 TP53 (0.50) DPP4TP53KDM1AHTTHDAC1
SCHEMBL22532823 0.89 TP53 (0.50) DPP4TP53KDM1AHTTHDAC1
SCHEMBL5541488 0.88 MAPT (0.50) TP53HDAC1HDAC6VEGFAEGLN1
SCHEMBL4297578 0.88 NR1H2 (0.50) DPP4TP53KDM1AHTTHDAC1
SCHEMBL5283535 0.88 TP53 (0.49) DPP4TP53KDM1AHTTHDAC1
SCHEMBL1876106 0.88 TP53 (0.49) TP53HTTHDAC1HDAC6VEGFA
SCHEMBL1049753 0.88 HDAC1 (0.50) DPP4TP53HDAC1HDAC6POLB
SCHEMBL6123232 0.87 TP53 (0.47) DPP4TP53HDAC1HDAC6CYP3A4
SCHEMBL2262766 0.87 CYP3A4 (0.52) DPP4TP53KDM1AHDAC1HDAC6

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-7291613-B2 Inhibitors of p38 kinase SCIOS, INC. (US) 2007-11-06 US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 US disclosed
US-7238712-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-07-03 US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
US-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-09-28 US disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO disclosed
EP-1558613-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-08-03 EP disclosed
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-26 US disclosed
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-12 US disclosed
WO-2004035576-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 WO disclosed
WO-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 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 (6 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-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds CCNI, INTS6, CCNE1 DPP4 2593/4885TP53 1861/4885KDM1A 1894/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 DPP4 2467/4885TP53 1586/4885KDM1A 1703/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 DPP4 2467/4885TP53 1586/4885KDM1A 1703/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 DPP4 1980/4885TP53 1381/4885KDM1A 2201/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE DPP4 1046/4885TP53 1308/4885KDM1A 3108/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE DPP4 1046/4885TP53 1308/4885KDM1A 3108/4885

“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.