SCHEMBL16346249

SCHEMBL16346249

C=CCn1cc(C=O)c(=O)c(OCc2ccccc2)c1C(OC)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
APOBEC3G Q9HC16 1/20 0.34
MAPK14 Q16539 1/20 0.33
ERN1 O75460 2/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32

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
SCHEMBL16346436 0.84 LMNA (0.40) LTB4RHTTALDH1A1HPGDMEN1
SCHEMBL16347957 0.83 TLR8 (0.38) HTTALDH1A1HPGDMEN1KMT2A
SCHEMBL16347637 0.81 ERN1 (0.32) HTTALDH1A1HPGDMEN1KMT2A
SCHEMBL16346800 0.72 KCNA5 (0.44) MEN1KMT2A
SCHEMBL26726885 0.71 LMNA (0.44) LTB4RHTTALDH1A1HPGDMEN1
SCHEMBL16345809 0.71 POLB (0.41) HTTALDH1A1HPGDMEN1KMT2A
SCHEMBL12993084 0.69 HPGD (0.43) ALDH1A1HPGDKMT2ANPC1L3MBTL1
SCHEMBL10188517 0.67 SMN1; SMN2 (0.40) HTTALDH1A1HPGDMEN1KMT2A
SCHEMBL10188515 0.67 HPGD (0.44) HTTALDH1A1HPGDMEN1KMT2A
SCHEMBL19334681 0.67 LMNA (0.44) ALDH1A1HPGDKMT2ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10442769-B2 Process for the preparation of intermediate of dolutegravir HETERO RESEARCH FOUNDATION (IN) 2019-10-15 US claimed
EP-3016935-B1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR HETERO RESEARCH FOUNDATION (IN) 2018-09-05 EP claimed
US-20180148412-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR HETERO RESEARCH FOUNDATION (IN) 2018-05-31 US claimed
US-9963430-B2 Process for the preparation of intermediate of dolutegravir HETERO RESEARCH FOUNDATION (IN) 2018-05-08 US claimed
US-20170334858-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR HETERO RESEARCH FOUNDATION (IN) 2017-11-23 US claimed
EP-3016935-A2 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR Hetero Research Foundation (IN) 2016-05-11 EP claimed
WO-2015001572-A2 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR HETERO RESEARCH FOUNDATION (IN) 2015-01-08 WO claimed
US-10442769-B2 Process for the preparation of intermediate of dolutegravir HETERO RESEARCH FOUNDATION (IN) 2019-10-15 US disclosed
US-10442769-B2 Process for the preparation of intermediate of dolutegravir HETERO RESEARCH FOUNDATION (IN) 2019-10-15 US disclosed
US-10301321-B2 Process for the preparation of dolutegravir and pharmaceutically acceptable salts thereof LAURUS LABS LIMITED (IN) 2019-05-28 US disclosed
EP-3016935-B1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR HETERO RESEARCH FOUNDATION (IN) 2018-09-05 EP disclosed
US-20180155364-A1 NOVEL PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LAURUS LABS LIMITED (IN) 2018-06-07 US disclosed
US-20180155364-A1 NOVEL PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LAURUS LABS LIMITED (IN) 2018-06-07 US disclosed
US-20170334858-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR HETERO RESEARCH FOUNDATION (IN) 2017-11-23 US disclosed
US-20170334858-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR HETERO RESEARCH FOUNDATION (IN) 2017-11-23 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
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-3016935-A2 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR Hetero Research Foundation (IN) 2016-05-11 EP disclosed
WO-2015001572-A2 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR HETERO RESEARCH FOUNDATION (IN) 2015-01-08 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 (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-20170334858-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR CYP3A4, DHPS, MVD LTB4R 1380/4885HTT 4307/4885ALDH1A1 1199/4885
US-20180148412-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR CYP3A4, DHPS, MVD LTB4R 1380/4885HTT 4307/4885ALDH1A1 1199/4885
US-10301321-B2 Process for the preparation of dolutegravir and pharmaceutically acceptable salts thereof CYP3A5, CYP3A43, CYP3A4 LTB4R 1813/4885HTT 4537/4885ALDH1A1 1691/4885
US-20180155364-A1 NOVEL PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CYP3A5, SAMHD1, CYP3A43 LTB4R 1820/4885HTT 4668/4885ALDH1A1 1838/4885
US-10442769-B2 Process for the preparation of intermediate of dolutegravir CYP3A4, DHPS, MVD LTB4R 1380/4885HTT 4307/4885ALDH1A1 1199/4885
US-20160333026-A1 NOVEL PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CYP3A5, SAMHD1, CYP3A43 LTB4R 1820/4885HTT 4668/4885ALDH1A1 1838/4885

“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.