SCHEMBL27244767

SCHEMBL27244767

NC(=O)[C@@H]1C[C@]2(CN1C(=O)O)Oc1ccc(F)cc1NC2=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.39
▸ AKR1B10 O60218 1/20 0.39
▸ AKR1A1 P14550 1/20 0.39
▸ NR3C2 P08235 7/20 0.32
▸ NR3C1 P04150 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ OTUD7B Q6GQQ9 3/20 0.32
▸ MAOB P27338 2/20 0.32
▸ MAOA P21397 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL30890744 0.85 AKR1B1 (0.35) AKR1B1AKR1B10AKR1A1MAOBMAOA
SCHEMBL30890780 0.82 MAOB (0.34) AKR1B1AKR1B10AKR1A1KDM4EALDH1A1
SCHEMBL27244744 0.81 AKR1B1 (0.33) AKR1B1AKR1B10AKR1A1NR3C2NR3C1
SCHEMBL27244787 0.81 AKR1B1 (0.31) AKR1B1AKR1B10AKR1A1NR3C2NR3C1
SCHEMBL27245042 0.81 AKR1B1 (0.31) AKR1B1AKR1B10AKR1A1NR3C2NR3C1
SCHEMBL27244814 0.81 L3MBTL1 (0.33) AKR1B1NR3C2ALDH1A1KMT2A
SCHEMBL27244692 0.81 AKR1B1 (0.31) AKR1B1AKR1B10AKR1A1
SCHEMBL27245205 0.78 TDP1 (0.34) AKR1B1
SCHEMBL27245231 0.77 — —
SCHEMBL27245173 0.77 OTUD7B (0.36) OTUD7BPOLB

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-20240199647-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-20 — — 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-20240199647-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 AKR1B1 3356/4885AKR1B10 3482/4885AKR1A1 3324/4885

“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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