SCHEMBL16345809

SCHEMBL16345809

COC(OC)c1[nH]cc(C=O)c(=O)c1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ERN1 O75460 3/20 0.36
MAP3K7 O43318 1/20 0.36
TAB1 Q15750 1/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL16346311 0.82 POLB (0.43) POLBALDH1A1USP2TSHRHSD17B10
SCHEMBL16346510 0.81 ALDH1A1 (0.50) POLBALDH1A1USP2TSHRHSD17B10
SCHEMBL16948226 0.80 POLB (0.40) POLBALDH1A1USP2TSHRHSD17B10
SCHEMBL11980573 0.76 ALDH1A1 (0.42) POLBALDH1A1USP2TSHRHSD17B10
SCHEMBL16346255 0.76 POLB (0.63) POLBALDH1A1USP2TSHRHSD17B10
SCHEMBL16346247 0.73 ALDH1A1 (0.35) POLBALDH1A1USP2TSHRHSD17B10
SCHEMBL16346249 0.71 LTB4R (0.35) POLBALDH1A1ERN1LMNAGAA
SCHEMBL16347957 0.69 TLR8 (0.38) ALDH1A1LMNAHPGDHTTMEN1
SCHEMBL16347637 0.69 ERN1 (0.32) POLBALDH1A1ERN1LMNAGAA
SCHEMBL10188484 0.68 ALDH1A1 (0.48) POLBALDH1A1USP2TSHRHSD17B10

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 29 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-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-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-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 73/4885ALDH1A1 1199/4885USP2 3570/4885
US-20180148412-A1 PROCESS FOR THE PREPARATION OF INTERMEDIATE OF DOLUTEGRAVIR CYP3A4, DHPS, MVD POLB 73/4885ALDH1A1 1199/4885USP2 3570/4885
US-10301321-B2 Process for the preparation of dolutegravir and pharmaceutically acceptable salts thereof CYP3A5, CYP3A43, CYP3A4 POLB 986/4885ALDH1A1 1691/4885USP2 4586/4885
US-20180155364-A1 NOVEL PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CYP3A5, SAMHD1, CYP3A43 POLB 1264/4885ALDH1A1 1838/4885USP2 4550/4885
US-10442769-B2 Process for the preparation of intermediate of dolutegravir CYP3A4, DHPS, MVD POLB 73/4885ALDH1A1 1199/4885USP2 3570/4885
US-20160333026-A1 NOVEL PROCESS FOR THE PREPARATION OF DOLUTEGRAVIR AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CYP3A5, SAMHD1, CYP3A43 POLB 1264/4885ALDH1A1 1838/4885USP2 4550/4885

“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.