SCHEMBL25144499

SCHEMBL25144499

CCOC(=O)C1CC(F)[C@@H](O)CC1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.37
▸ CA2 P00918 6/20 0.37
▸ CA12 O43570 5/20 0.37
▸ CA9 Q16790 5/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PPM1B O75688 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ PPP1CC P36873 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CAPN9 O14815 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
SCHEMBL25144280 1.00 CA1 (0.37) CA1CA2CA12CA9CYP1A2
SCHEMBL25144287 0.90 CA1 (0.33) CA1CA2CA12CA9CYP1A2
SCHEMBL25144362 0.90 NPC1 (0.37) CA1CA2CA12CA9CYP1A2
SCHEMBL8166437 0.88 — —
SCHEMBL7198390 0.88 — —
SCHEMBL25144056 0.88 CA1 (0.41) CA1CA2CA12CA9LMNA
SCHEMBL3696263 0.88 — —
SCHEMBL31162271 0.83 MEN1 (0.41) CYP1A2TSHRCYP2C19ALDH1A1MAPT
SCHEMBL31162511 0.83 MEN1 (0.41) CYP1A2TSHRCYP2C19ALDH1A1MAPT
SCHEMBL31162202 0.83 MEN1 (0.41) CYP1A2TSHRCYP2C19ALDH1A1MAPT

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-20230122505-A1 NOVEL SMALL MOLECULE ANTICANCER AGENTS, COMBINATIONS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-04-20 — — 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-20230122505-A1 NOVEL SMALL MOLECULE ANTICANCER AGENTS, COMBINATIONS AND USES THEREOF MKI67, TP53, PLK1 CA1 4451/4885CA2 2701/4885CA12 2934/4885

“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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