SCHEMBL18681189

SCHEMBL18681189

O=C(OC[C@H]1O[C@@H](OC(=O)c2ccccc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPK1 P28482 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PPM1B O75688 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ LGALS9 O00182 1/20 0.40
▸ LGALS1 P09382 1/20 0.40
▸ LGALS3 P17931 1/20 0.40
▸ LGALS7; LGALS7B P47929 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL3081295 1.00 POLB (0.47) POLBKMT2AMEN1USP2ALDH1A1
SCHEMBL3238065 1.00 POLB (0.47) POLBKMT2AMEN1USP2ALDH1A1
SCHEMBL12524610 1.00 POLB (0.47) POLBKMT2AMEN1USP2ALDH1A1
SCHEMBL16258710 1.00 POLB (0.47) POLBKMT2AMEN1USP2ALDH1A1
SCHEMBL14853797 1.00 POLB (0.47) POLBKMT2AMEN1USP2ALDH1A1
SCHEMBL24522365 1.00 POLB (0.47) POLBKMT2AMEN1USP2ALDH1A1
SCHEMBL14586081 1.00 POLB (0.47) POLBKMT2AMEN1USP2ALDH1A1
SCHEMBL12556245 1.00 POLB (0.47) POLBKMT2AMEN1USP2ALDH1A1
SCHEMBL21007945 1.00 POLB (0.47) POLBKMT2AMEN1USP2ALDH1A1
SCHEMBL16918612 1.00 POLB (0.47) POLBKMT2AMEN1USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9968628-B2 Methods and compositions for treating flaviviruses and pestiviruses IDENIX PHARMACEUTICALS LLC (US) 2018-05-15 — — US disclosed
US-20170088577-A1 MODIFIED 2' AND 3'-NUCLEOSIDE PRODRUGS FOR TREATING FLAVIVIRIDAE INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2017-03-30 — — US 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 (1 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-20170088577-A1 MODIFIED 2' AND 3'-NUCLEOSIDE PRODRUGS FOR TREATING FLAVIVIRIDAE INFECTIONS PNP, UGT1A3, UGT2B7 POLB 1087/4885KMT2A 3013/4885MEN1 4634/4885

“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.

Send feedback