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Sugi Predict / Compounds / SCHEMBL17359466

SCHEMBL17359466

SCHEMBL17359466

CCCCCCCCCCCCCCCC(=O)NCCCCC(NC(=O)C(CCCCNC(=O)COCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)NC(=O)C(CCCCNC(=O)COCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)NC(=O)COCCOCCOCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.56
▸ PGR P06401 1/20 0.56
▸ HTR1A P08908 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56
▸ AR P10275 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ TBXA2R P21731 1/20 0.56
▸ PTGS1 P23219 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ MAPK1 P28482 1/20 0.51
▸ GLP1R P43220 8/20 0.48
▸ EPHX2 P34913 1/20 0.43
▸ TLR2 O60603 1/20 0.42
▸ ANPEP P15144 2/20 0.41
▸ SELL P14151 3/20 0.40
▸ SELP P16109 3/20 0.40
▸ SELE P16581 3/20 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
SCHEMBL24239553 0.96 MAPK1 (0.52) ESR1PGRHTR1AADORA3AR
SCHEMBL17519160 0.96 MAPK1 (0.52) ESR1PGRHTR1AADORA3AR
SCHEMBL24239556 0.96 MAPK1 (0.52) ESR1PGRHTR1AADORA3AR
SCHEMBL15711575 0.95 GLP1R (0.53) ESR1PGRHTR1AADORA3AR
SCHEMBL24239566 0.95 GLP1R (0.53) ESR1PGRHTR1AADORA3AR
SCHEMBL17519200 0.95 GLP1R (0.53) ESR1PGRHTR1AADORA3AR
SCHEMBL24239564 0.95 GLP1R (0.53) ESR1PGRHTR1AADORA3AR
SCHEMBL15702040 0.95 GLP1R (0.53) ESR1PGRHTR1AADORA3AR
SCHEMBL16920715 0.94 ESR1 (0.47) ESR1PGRHTR1AADORA3AR
SCHEMBL20285786 0.93 ESR1 (0.49) ESR1PGRHTR1AADORA3AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368642-A1 LNA OLIGONUCLEOTIDE CARBOHYDRATE CONJUGATES ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2015-12-24 — — 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-20150368642-A1 LNA OLIGONUCLEOTIDE CARBOHYDRATE CONJUGATES SLC5A1, CSGALNACT1, SLC5A2 ESR1 2091/4885PGR 4442/4885HTR1A 4842/4885

“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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