SCHEMBL20875745

SCHEMBL20875745

CCCCCCCCCCCCCCNC(=O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54
NAAA Q02083 2/20 0.53
EPHX1 P07099 9/20 0.50
METAP2 P50579 1/20 0.49
RRM1 P23921 1/20 0.49
DPP7 Q9UHL4 2/20 0.49
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
MMP8 P22894 1/20 0.46
CASP2 P42575 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL20876033 1.00 FNTA (0.54) FNTAFNTBNAAAEPHX1METAP2
SCHEMBL20875842 1.00 FNTA (0.54) FNTAFNTBNAAAEPHX1METAP2
SCHEMBL20875796 1.00 FNTA (0.54) FNTAFNTBNAAAEPHX1METAP2
SCHEMBL20875783 1.00 FNTA (0.54) FNTAFNTBNAAAEPHX1METAP2
SCHEMBL20875750 1.00 FNTA (0.54) FNTAFNTBNAAAEPHX1METAP2
SCHEMBL20875821 1.00 FNTA (0.54) FNTAFNTBNAAAEPHX1METAP2
SCHEMBL20875838 1.00 FNTA (0.54) FNTAFNTBNAAAEPHX1METAP2
SCHEMBL20875833 1.00 FNTA (0.54) FNTAFNTBNAAAEPHX1METAP2
SCHEMBL20875767 1.00 FNTA (0.54) FNTAFNTBNAAAEPHX1METAP2
SCHEMBL20875781 1.00 FNTA (0.54) FNTAFNTBNAAAEPHX1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200277269-A1 N-ALKYL-D-GLUCARO-6 AMIDE DERIVATIVES AND ALKYLAMMONIUM SALTS THEREOF AS INTERMEDIATES FOR PREPARING D-GLUCARO-6,3-LACTONE MONOAMIDE BASF SE (DE) 2020-09-03 US claimed
CN-111132968-A N-alkyl-D-glucaric acid-6-amide derivatives and alkylammonium salts thereof as intermediates for the preparation of D-glucaric acid-6, 3-lactone monoamide 巴斯夫欧洲公司 2020-05-08 CN claimed
US-11208392-B2 N-alkyl-D-glucaro-6 amide derivatives and alkylammonium salts thereof as intermediates for preparing D-glucaro-6,3-lactone monoamide BASF SE (DE) 2021-12-28 US disclosed
US-20200277269-A1 N-ALKYL-D-GLUCARO-6 AMIDE DERIVATIVES AND ALKYLAMMONIUM SALTS THEREOF AS INTERMEDIATES FOR PREPARING D-GLUCARO-6,3-LACTONE MONOAMIDE BASF SE (DE) 2020-09-03 US disclosed
EP-3692024-A1 N-ALKYL-D-GLUCARO-6 AMIDE DERIVATIVES AND ALKYLAMMONIUM SALTS THEREOF AS INTERMEDIATES FOR PREPARING D-GLUCARO-6,3-LACTONE MONOAMIDE BASF SE (DE) 2020-08-12 EP disclosed
CN-111132968-A N-alkyl-D-glucaric acid-6-amide derivatives and alkylammonium salts thereof as intermediates for the preparation of D-glucaric acid-6, 3-lactone monoamide 巴斯夫欧洲公司 2020-05-08 CN disclosed
WO-2019068583-A1 N-ALKYL-D-GLUCARO-6 AMIDE DERIVATIVES AND ALKYLAMMONIUM SALTS THEREOF AS INTERMEDIATES FOR PREPARING D-GLUCARO-6,3-LACTONE MONOAMIDE BASF SE (DE) 2019-04-11 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-11208392-B2 N-alkyl-D-glucaro-6 amide derivatives and alkylammonium salts thereof as intermediates for preparing D-glucaro-6,3-lactone monoamide FUT6, MGAT3, GYPA FNTA 1339/4885FNTB 3122/4885NAAA 52/4885
US-20200277269-A1 N-ALKYL-D-GLUCARO-6 AMIDE DERIVATIVES AND ALKYLAMMONIUM SALTS THEREOF AS INTERMEDIATES FOR PREPARING D-GLUCARO-6,3-LACTONE MONOAMIDE FUT6, MGAT3, GYPA FNTA 1339/4885FNTB 3122/4885NAAA 52/4885

“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.