SCHEMBL20875802

SCHEMBL20875802

CCCNC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.44
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
EPHX1 P07099 2/20 0.40
ANPEP P15144 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
MCL1 Q07820 1/20 0.39
DPP7 Q9UHL4 2/20 0.38
METAP2 P50579 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
NAAA Q02083 2/20 0.36
RRM1 P23921 1/20 0.35
PAOX Q6QHF9 1/20 0.34

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
SCHEMBL13499227 1.00 USP2 (0.50) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL16126120 0.91 MEN1 (0.46) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL16126138 0.91 MEN1 (0.46) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL16126132 0.91 MEN1 (0.46) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL14602768 0.90 USP2 (0.61) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL19199175 0.90 USP2 (0.61) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL17411522 0.90 DPP7 (0.42) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL16003067 0.90 DPP7 (0.42) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL21127334 0.88 MEN1 (0.41) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL22847856 0.88 PDE4A (0.48) USP2MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 USP2 2039/4885MEN1 1644/4885KMT2A 628/4885
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 USP2 2039/4885MEN1 1644/4885KMT2A 628/4885

“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.