SCHEMBL16346255

SCHEMBL16346255

COC(OC)c1[nH]ccc(=O)c1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
NSD2 O96028 1/20 0.44
ABL1 P00519 1/20 0.44
PPARG P37231 1/20 0.44
RIN1 Q13671 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
HTT P42858 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL82673 0.78 POLB (1.00) POLBLMNAGAANSD2ABL1
SCHEMBL16346311 0.77 POLB (0.43) POLBLMNAGAANSD2ABL1
SCHEMBL16345809 0.76 POLB (0.41) POLBLMNAGAANSD2ABL1
SCHEMBL16346510 0.76 ALDH1A1 (0.50) POLBLMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL28496721 0.75 POLB (0.68) POLBLMNAGAANSD2ABL1
SCHEMBL16948226 0.75 POLB (0.40) POLBLMNAGAANSD2ABL1
SCHEMBL21259220 0.74 POLB (0.62) POLBLMNAGAANSD2ABL1
SCHEMBL16345760 0.73 LMNA (0.65) POLBLMNAGAAHTTALDH1A1
SCHEMBL10188488 0.72 POLB (0.64) POLBLMNAGAANSD2ABL1
Glycerin SCHEMBL6953616 0.72 POLB (0.80) POLBLMNAGAANSD2ABL1

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 POLB 73/4885LMNA 2182/4885GAA 505/4885
US-20180148412-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR CYP3A4, DHPS, MVD POLB 73/4885LMNA 2182/4885GAA 505/4885
US-10301321-B2 Process for the preparation of dolutegravir and pharmaceutically acceptable salts thereof CYP3A5, CYP3A43, CYP3A4 POLB 986/4885LMNA 2611/4885GAA 196/4885
US-20180155364-A1 NOVEL PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CYP3A5, SAMHD1, CYP3A43 POLB 1264/4885LMNA 3050/4885GAA 231/4885
US-10442769-B2 Process for the preparation of intermediate of dolutegravir CYP3A4, DHPS, MVD POLB 73/4885LMNA 2182/4885GAA 505/4885
US-20160333026-A1 NOVEL PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CYP3A5, SAMHD1, CYP3A43 POLB 1264/4885LMNA 3050/4885GAA 231/4885

“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.