SCHEMBL4740474

SCHEMBL4740474

CC(=O)OC[C@H]1OC=C[C@@H](OC(C)=O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.49
CYP2C19 P33261 7/20 0.49
MAPT P10636 9/20 0.46
ALDH1A1 P00352 7/20 0.46
TSHR P16473 2/20 0.46
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
HSD17B10 Q99714 3/20 0.45
CYP2D6 P10635 5/20 0.43
CYP2C9 P11712 4/20 0.43
THRB P10828 2/20 0.43
TP53 P04637 2/20 0.43
NLRP3 Q96P20 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13427422 1.00 CYP3A4 (0.49) CYP3A4CYP2C19MAPTALDH1A1TSHR
SCHEMBL16379575 1.00 CYP3A4 (0.49) CYP3A4CYP2C19MAPTALDH1A1TSHR
SCHEMBL4739320 1.00 CYP3A4 (0.49) CYP3A4CYP2C19MAPTALDH1A1TSHR
SCHEMBL6512353 0.88 CYP3A4 (0.52) CYP3A4CYP2C19MAPTALDH1A1TSHR
SCHEMBL6512348 0.88 CYP3A4 (0.52) CYP3A4CYP2C19MAPTALDH1A1TSHR
SCHEMBL9090998 0.87 CYP2C19 (0.39) CYP3A4CYP2C19MAPTALDH1A1TSHR
SCHEMBL9091143 0.87 CYP2C19 (0.39) CYP3A4CYP2C19MAPTALDH1A1TSHR
SCHEMBL9090855 0.86 CYP3A4 (0.38) CYP3A4CYP2C19MAPTALDH1A1TSHR
SCHEMBL15982051 0.84 CYP3A4 (0.46) CYP3A4CYP2C19MAPTALDH1A1TSHR
SCHEMBL12573467 0.84 CYP3A4 (0.46) CYP3A4CYP2C19MAPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates LYCIA THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMA (US) 2022-05-05 US disclosed
US-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-09 US disclosed
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2020-08-27 US disclosed
US-10669298-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-06-02 US disclosed
WO-2020035782-A1 MOLECULAR PROBES FOR ANALYSIS OF METABOLISM OF GLYCOLYSIS INHIBITORS PRODRUGS AND SYNTHESIS METHODS THEREFORE DERMIN SP. Z O.O. (PL) 2020-02-20 WO disclosed
US-20190106450-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS INCORPORATED 2019-04-11 US disclosed
EP-2935302-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2018-06-06 EP disclosed
WO-2008081270-A2 PROCESS FOR THE PREPARATION OF 3.6-DI-O-ACETYL-D-GLYCALS INNOVATIVE BIOTECHNOLOGY S.R.L. (IT) 2008-07-10 WO disclosed
US-5496930-A Unsaturatd sugar compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-03-05 US disclosed
EP-0337920-B1 Process for high regioselective esterification and ether-cleavage on unsaturated sugar compounds with the help of lipases and esterases and products obtained with that process HOECHST AG (DE) 1995-08-16 EP disclosed
EP-0507278-A2 Immobilised biocatalyser, its preparation and use for ester synthesis in a column reactor HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-07 EP disclosed
EP-0337920-A2 Process for high regioselective esterification and ether-cleavage on unsaturated sugar compounds with the help of lipases and esterases and products obtained with that process HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-18 EP 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-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates M6PR, ASGR1, IGF2R CYP3A4 3731/4885CYP2C19 4544/4885MAPT 3180/4885
US-20190106450-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 CYP3A4 3435/4885CYP2C19 2197/4885MAPT 3571/4885
US-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds DHPS, CFTR, FDPS CYP3A4 838/4885CYP2C19 97/4885MAPT 4611/4885
US-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 CYP3A4 3435/4885CYP2C19 2197/4885MAPT 3571/4885
US-10669298-B2 Mannose derivatives for treating bacterial infections MPI, MANBA, MAN2A1 CYP3A4 3435/4885CYP2C19 2197/4885MAPT 3571/4885
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 CYP3A4 3435/4885CYP2C19 2197/4885MAPT 3571/4885

“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.