SCHEMBL16375007

SCHEMBL16375007

CCCCOc1c(CO)ncc(C(=O)NCc2ccc(F)cc2F)c1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.46
KCNK3 O14649 1/20 0.44
KCNK5 O95279 1/20 0.44
KCNA5 P22460 1/20 0.44
KCNK17 Q96T54 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
PDE10A Q9Y233 1/20 0.44
PPARD Q03181 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR2 P34972 2/20 0.41
PPARA Q07869 2/20 0.41
FAAH O00519 1/20 0.40
MAOB P27338 1/20 0.40
GSK3B P49841 1/20 0.39
HSD17B13 Q7Z5P4 1/20 0.39

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
SCHEMBL16374958 0.88 KCNK3 (0.44) METKCNK3KCNK5KCNA5KCNK17
SCHEMBL16374956 0.86 PPARD (0.46) METKCNK3KCNK5KCNA5KCNK17
SCHEMBL92995 0.86 CNR2 (0.52) CNR2FAAH
SCHEMBL15978569 0.86 MET (0.43) METKCNK3KCNK5KCNA5KCNK17
SCHEMBL18532059 0.84 KCNA5 (0.52) METKCNK3KCNK5KCNA5KCNK17
SCHEMBL16453348 0.81 MET (0.39) METKCNK3KCNK5KCNA5KCNK17
SCHEMBL16375008 0.77 MET (0.44) METKCNK3KCNK5KCNA5KCNK17
SCHEMBL15015194 0.76 PDE10A (0.43) METKCNK3KCNK5KCNA5KCNK17
SCHEMBL8981503 0.76 CNR2 (0.54) CNR2FAAH
SCHEMBL13039505 0.74 CCNE2 (0.40) CNR2MAOB

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-20170334858-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR HETERO RESEARCH FOUNDATION (IN) 2017-11-23 US disclosed
US-9573965-B2 Process for the preparation of Dolutegravir AUROBINDO PHARMA LTD (IN) 2017-02-21 US disclosed
US-20160333026-A1 NOVEL PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LAURUS LABS PRIVATE LIMITED (IN) 2016-11-17 US disclosed
EP-3045461-A1 Processes for preparing dolutegravir and analogues thereof LEK Pharmaceuticals d.d. (SI) 2016-07-20 EP disclosed
US-20160108058-A1 An improved process for the preparation of Dolutegravir AUROBINDO PHARMA LTD. (IN) 2016-04-21 US disclosed
WO-2015110897-A2 NOVEL PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LAURUS LABS PRIVATE LIMITED (IN) 2015-07-30 WO disclosed
WO-2015019310-A1 PROCESS FOR THE PREPARATION OF DOLUTE-GRAVIR AND INTERMEDIATES THEREOF MYLAN LABORATORIES LTD (IN) 2015-02-12 WO disclosed
WO-2015001572-A2 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR HETERO RESEARCH FOUNDATION (IN) 2015-01-08 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 (3 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-20170334858-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR CYP3A4, DHPS, MVD MET 2886/4885KCNK3 2177/4885KCNK5 1165/4885
US-20160108058-A1 An improved process for the preparation of Dolutegravir XDH, TBK1, POLR2H MET 4128/4885KCNK3 2878/4885KCNK5 1573/4885
US-20160333026-A1 NOVEL PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CYP3A5, SAMHD1, CYP3A43 MET 3696/4885KCNK3 1223/4885KCNK5 749/4885

“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.