Sugi Predict

Sugi Predict / Compounds / SCHEMBL17974033

SCHEMBL17974033

SCHEMBL17974033

CC(=O)N[C@H]1[C@H](OCCOCCOCCOCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=O)COCCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)NC(=O)COCCOCCOCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)C(C)=O)O[C@H](CO)[C@H](O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.48
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ANPEP P15144 2/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ AR P10275 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ LGALS3 P17931 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ LGALS8 O00214 1/20 0.41
▸ LGALS4 P56470 1/20 0.41
▸ IGF2R P11717 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
SCHEMBL23031881 1.00 MAPK1 (0.48) MAPK1MEN1KMT2AANPEPESR1
SCHEMBL17519161 1.00 MAPK1 (0.48) MAPK1MEN1KMT2AANPEPESR1
SCHEMBL22639113 1.00 MAPK1 (0.48) MAPK1MEN1KMT2AANPEPESR1
SCHEMBL18610577 1.00 MAPK1 (0.48) MAPK1MEN1KMT2AANPEPESR1
SCHEMBL22639112 0.95 MAPK1 (0.46) MAPK1MEN1KMT2AANPEPESR1
SCHEMBL24105620 0.95 MAPK1 (0.44) MAPK1MEN1KMT2AANPEPESR1
SCHEMBL16920715 0.95 ESR1 (0.47) MAPK1MEN1KMT2AANPEPESR1
SCHEMBL21207336 0.95 MAPK1 (0.48) MAPK1MEN1KMT2AANPEPESR1
SCHEMBL21086224 0.95 MAPK1 (0.48) MAPK1MEN1KMT2AANPEPESR1
SCHEMBL23730428 0.95 MAPK1 (0.48) MAPK1MEN1KMT2AANPEPESR1

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-20230357773-A1 OLIGONUCLEOTIDE TREATMENT OF HEPATITIS B PATIENTS HOFFMANN-LA ROCHE INC. 2023-11-09 — — US disclosed
US-20220031730-A1 ENHANCED OLIGONUCLEOTIDES FOR MODULATING FUBP1 EXPRESSION HOFFMANN-LA ROCHE INC. (US) 2022-02-03 — — US disclosed
US-20170204408-A9 Compositions for Targeted Delivery of siRNA SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2017-07-20 — — US disclosed
US-20160222384-A1 Compositions for Targeted Delivery of siRNA ARROWHEAD MADISON INC (US) 2016-08-04 — — 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 (4 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-20160222384-A1 Compositions for Targeted Delivery of siRNA PHAX, RNASE1, SNRPE MAPK1 4500/4885MEN1 3637/4885KMT2A 4037/4885
US-20220031730-A1 ENHANCED OLIGONUCLEOTIDES FOR MODULATING FUBP1 EXPRESSION FUBP1, FUBP3, IGF2BP1 MAPK1 3262/4885MEN1 3252/4885KMT2A 2307/4885
US-20170204408-A9 Compositions for Targeted Delivery of siRNA PHAX, RNASE1, SNRPE MAPK1 4500/4885MEN1 3637/4885KMT2A 4037/4885
US-20230357773-A1 OLIGONUCLEOTIDE TREATMENT OF HEPATITIS B PATIENTS HAVCR2, DCLRE1B, NSUN2 MAPK1 4634/4885MEN1 4465/4885KMT2A 3082/4885

“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.

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