SCHEMBL1654010

SCHEMBL1654010

COC(=O)c1nc(N(C)S(=O)(=O)CCCCCNC(=O)OC(C)(C)C)c2cccnc2c1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RECQL P46063 1/20 0.37
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PDPK1 O15530 1/20 0.35
CCNB2 O95067 1/20 0.35
PRKCB P05771 1/20 0.35
CDK1 P06493 1/20 0.35
LYN P07948 1/20 0.35
CCNB1 P14635 1/20 0.35

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
SCHEMBL1655557 0.94 CYP3A4 (0.42) CYP3A4L3MBTL1MAPTPOLBMAPK1
SCHEMBL27949680 0.93 CYP3A4 (0.41) CYP3A4L3MBTL1MAPTPOLBMAPK1
SCHEMBL10013108 0.87 PDPK1 (0.38) CYP3A4L3MBTL1CA1CA2CA12
SCHEMBL1654730 0.87 CA1 (0.40) CYP3A4L3MBTL1CA1CA2CA12
SCHEMBL10013107 0.86 CA1 (0.39) CYP3A4L3MBTL1CA1CA2CA12
SCHEMBL1654647 0.85 CA1 (0.37) CYP3A4L3MBTL1CA1CA2CA12
SCHEMBL11904104 0.84 CYP3A4 (0.36) CYP3A4L3MBTL1MAPTPOLBMAPK1
SCHEMBL10013000 0.83 CYP3A4 (0.46) CYP3A4L3MBTL1MAPTPOLBMAPK1
SCHEMBL11904688 0.82 CYP3A4 (0.37) CYP3A4L3MBTL1MAPTCA1CA2
SCHEMBL11904685 0.81 CA12 (0.38) CYP3A4L3MBTL1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675803-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS Elanco Animal Health Ireland Limited (IE) 2013-12-25 EP disclosed
EP-2488521-B1 MACROCYCLIC INTEGRASE INHIBITORS ELANCO ANIMAL HEALTH IRELAND (IE) 2013-12-18 EP disclosed
US-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-11-07 US disclosed
US-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-11-07 US disclosed
US-8497270-B2 Macrocyclic integrase inhibitors ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-07-30 US disclosed
US-8497270-B2 Macrocyclic integrase inhibitors ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-07-30 US disclosed
WO-2012112345-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2012-08-23 WO disclosed
EP-2488521-A1 MACROCYCLIC INTEGRASE INHIBITORS Elanco Animal Health Ireland Limited (IE) 2012-08-22 EP disclosed
EP-2487176-A1 Macrocyclic integrase inhibitors for use in the treatment of feline immunodeficiency virus Elanco Animal Health Ireland Limited (IE) 2012-08-15 EP disclosed
EP-2487176-A1 Macrocyclic integrase inhibitors for use in the treatment of feline immunodeficiency virus Elanco Animal Health Ireland Limited (IE) 2012-08-15 EP disclosed
US-20120172367-A1 MACROCYCLIC INTEGRASE INHIBITORS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2012-07-05 US disclosed
US-20120172367-A1 MACROCYCLIC INTEGRASE INHIBITORS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2012-07-05 US disclosed
US-20120172367-A1 MACROCYCLIC INTEGRASE INHIBITORS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2012-07-05 US disclosed
WO-2011045330-A1 MACROCYCLIC INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-04-21 WO disclosed
WO-2011045330-A1 MACROCYCLIC INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-04-21 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-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS FIP1L1, PIM1, TYMP CYP3A4 292/4885L3MBTL1 2476/4885MAPT 3533/4885
US-20120172367-A1 MACROCYCLIC INTEGRASE INHIBITORS CCNI, CCNY, CDK7 CYP3A4 265/4885L3MBTL1 478/4885MAPT 2913/4885

“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.