SCHEMBL31480884

SCHEMBL31480884

O=C(CNCCN(CC(=O)OCc1ccccc1)C(=O)OCOP(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ KMT2A Q03164 4/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL31480820 0.88 CCR6 (0.41) CCR6PAX8KMT2ALMNAL3MBTL1
SCHEMBL31480731 0.86 CYP2D6 (0.42) CCR6PAX8KMT2ACA1CA2
SCHEMBL31480709 0.86 CCR6 (0.41) CCR6PAX8KMT2ALMNAL3MBTL1
SCHEMBL31480720 0.85 ALDH1A1 (0.40) CCR6PAX8CA1CA2LMNA
SCHEMBL31480715 0.82 SYK (0.42) CCR6PAX8KMT2ALMNAL3MBTL1
SCHEMBL31480801 0.82 ALDH1A1 (0.44) CCR6PAX8KMT2ACA1CA2
SCHEMBL31480857 0.77 BTN3A1 (0.37) CCR6PAX8KMT2ALMNAL3MBTL1
SCHEMBL31480733 0.77 ALDH1A1 (0.36) CCR6PAX8KMT2ALMNAL3MBTL1
SCHEMBL31480877 0.76 HDAC1 (0.37) KMT2ALMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL25246646 0.73 L3MBTL1 (0.35) CCR6PAX8KMT2ALMNAL3MBTL1

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-20250120989-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2025-04-17 — — US disclosed
WO-2025080879-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2025-04-17 — — 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 (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-20250120989-A1 BRIDGED TRICYCLIC CARBAMOYLPYRIDONE COMPOUNDS AND USES THEREOF SDHA, SDHB, DPYD CCR6 920/4885PAX8 4636/4885KMT2A 3060/4885

“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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