Sugi Predict

Sugi Predict / Compounds / SCHEMBL1844448

SCHEMBL1844448

SCHEMBL1844448

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ POLB P06746 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ SYNJ2 O15056 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ LGALS9 O00182 1/20 0.39
▸ LGALS1 P09382 1/20 0.39

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
SCHEMBL19326429 1.00 ALDH1A1 (0.50) ALDH1A1POLBMAPK1GAANPSR1
SCHEMBL1844446 1.00 ALDH1A1 (0.50) ALDH1A1POLBMAPK1GAANPSR1
SCHEMBL15127206 1.00 ALDH1A1 (0.50) ALDH1A1POLBMAPK1GAANPSR1
SCHEMBL1844450 1.00 ALDH1A1 (0.50) ALDH1A1POLBMAPK1GAANPSR1
SCHEMBL929484 1.00 ALDH1A1 (0.50) ALDH1A1POLBMAPK1GAANPSR1
SCHEMBL13187913 1.00 ALDH1A1 (0.50) ALDH1A1POLBMAPK1GAANPSR1
SCHEMBL19326334 1.00 ALDH1A1 (0.50) ALDH1A1POLBMAPK1GAANPSR1
SCHEMBL18271833 1.00 ALDH1A1 (0.50) ALDH1A1POLBMAPK1GAANPSR1
SCHEMBL17453216 1.00 ALDH1A1 (0.50) ALDH1A1POLBMAPK1GAANPSR1
SCHEMBL2481853 0.88 UPP1 (0.47) ALDH1A1POLBGAANPSR1LMNA

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-11542505-B1 Substituted RIG-I agonists: compositions and methods thereof MERCK SHARP & DOHME LLC (US) 2023-01-03 — — US disclosed
US-20110306573-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF VIRAL POLYMERASES MERCK SHARP & DOHME CORP. 2011-12-15 — — US disclosed
EP-2324043-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF VIRAL POLYMERASES Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2011-05-25 — — EP disclosed
WO-2010026153-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF VIRAL POLYMERASES ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-03-11 — — 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-11542505-B1 Substituted RIG-I agonists: compositions and methods thereof MAVS, TLR3, DDX18 ALDH1A1 2726/4885POLB 371/4885MAPK1 3081/4885
US-20110306573-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF VIRAL POLYMERASES POLR2E, POLR2H, POLRMT ALDH1A1 921/4885POLB 7/4885MAPK1 1698/4885

“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.