SCHEMBL6475002

SCHEMBL6475002

CC(=O)OC1[C@@H](OC(C)=O)COC[C@@H]1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
CHRM2 P08172 5/20 0.38
CHRM1 P11229 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM4 P08173 2/20 0.35
CHRM3 P20309 2/20 0.35
TSHR P16473 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
BCHE P06276 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL220405 1.00 POLB (0.38) POLBGAACHRM2CHRM1KMT2A
SCHEMBL24145355 1.00 POLB (0.38) POLBGAACHRM2CHRM1KMT2A
SCHEMBL17928956 1.00 POLB (0.38) POLBGAACHRM2CHRM1KMT2A
SCHEMBL20329541 1.00 POLB (0.38) POLBGAACHRM2CHRM1KMT2A
SCHEMBL10440862 0.88 CHRM2 (0.42) POLBGAACHRM2CHRM1KMT2A
SCHEMBL30454878 0.88 POLB (0.35) POLBGAACHRM2CHRM1KMT2A
SCHEMBL29189673 0.82 CHRM2 (0.38) CHRM2CHRM1KMT2AMEN1CYP2D6
SCHEMBL14627937 0.82 CHRM2 (0.38) CHRM2CHRM1KMT2AMEN1CYP2D6
SCHEMBL24752585 0.82 CHRM2 (0.38) CHRM2CHRM1KMT2AMEN1CYP2D6
SCHEMBL29189672 0.82 CHRM2 (0.38) CHRM2CHRM1KMT2AMEN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827664-B2 Biaryl amides with modified sugar groups for treatment of diseases associated with heat shock protein pathway REATA PHARMACEUTICALS, INC (US) 2023-11-28 US disclosed
US-20230132332-A1 Green Methods of Carbohydrate Acetylation UNITED STATES DEPARTMENT OF ENERGY 2023-04-27 US disclosed
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 US disclosed
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 US disclosed
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 US disclosed
EP-1358183-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2003-11-05 EP disclosed
US-20030203900-A1 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2003-10-30 US disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
WO-2002088106-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2002-11-07 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 (7 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-20230132332-A1 Green Methods of Carbohydrate Acetylation PUF60, HDAC10, NAT10 POLB 2890/4885GAA 1174/4885CHRM2 2309/4885
US-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ POLB 4412/4885GAA 834/4885CHRM2 2622/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS POLB 4505/4885GAA 813/4885CHRM2 2809/4885
US-20050020588-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV POLB 3719/4885GAA 1039/4885CHRM2 2529/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK POLB 4674/4885GAA 1175/4885CHRM2 2949/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV POLB 3719/4885GAA 1039/4885CHRM2 2529/4885
US-11827664-B2 Biaryl amides with modified sugar groups for treatment of diseases associated with heat shock protein pathway HSPA2, HSP90AB2P, HSF1 POLB 3229/4885GAA 315/4885CHRM2 4488/4885

“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.