SCHEMBL27427406

SCHEMBL27427406

O=Cc1cc2c(cc1O)CN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 7/20 0.59
▸ ESR1 P03372 6/20 0.59
▸ PKM P14618 1/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ ABHD6 Q9BV23 4/20 0.38
▸ ERCC1 P07992 1/20 0.38
▸ ERCC4 Q92889 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ACHE P22303 1/20 0.35
▸ CA12 O43570 1/20 0.34

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
SCHEMBL30150247 0.83 CA1 (0.43) ESR2ESR1CA1CA2CA7
SCHEMBL17891164 0.83 CA1 (0.43) ESR2ESR1CA1CA2CA7
SCHEMBL17890603 0.81 ESR1 (0.62) ESR2ESR1PKMCA1CA2
SCHEMBL31164724 0.81 ESR1 (0.62) ESR2ESR1PKMCA1CA2
SCHEMBL17890573 0.78 ESR2 (0.62) ESR2CA1CA2CA7CA9
SCHEMBL29590263 0.78 ESR2 (0.62) ESR2CA1CA2CA7CA9
SCHEMBL14925173 0.77 HRH3 (0.46) ESR2CA1CA2CA7CA9
SCHEMBL10067649 0.77 ESR2 (0.68) ESR2ESR1PKMABHD6ERCC1
SCHEMBL31173299 0.77 ESR2 (0.68) ESR2ESR1PKMABHD6HDAC8
SCHEMBL2334651 0.77 ESR2 (0.68) ESR2ESR1PKMABHD6HDAC8

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-20240217966-A1 PHARMACEUTICAL COMPOSITION CONTAINING GLP-1 RECEPTOR AGONIST HAVING FUSED RING SHIONOGI & CO., LTD. (JP) 2024-07-04 — — 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 (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-20240217966-A1 PHARMACEUTICAL COMPOSITION CONTAINING GLP-1 RECEPTOR AGONIST HAVING FUSED RING GLP1R, GIPR, GCGR ESR2 1015/4885ESR1 773/4885PKM 4742/4885

“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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