SCHEMBL25410650

SCHEMBL25410650

COc1cccc(C[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3cccc(C=O)c32)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 4/20 0.43
▸ POLB P06746 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ HTR6 P50406 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CMA1 P23946 1/20 0.37

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
SCHEMBL25410654 1.00 PKM (0.43) PKMPOLBLMNAHTTHTR6
SCHEMBL25413130 0.91 CA1 (0.42) PKMPOLBLMNAHTR6ALDH1A1
SCHEMBL25413134 0.91 CA1 (0.42) PKMPOLBLMNAHTR6ALDH1A1
SCHEMBL25408807 0.89 CMA1 (0.46) POLBLMNAHTR6ALDH1A1KMT2A
SCHEMBL25408804 0.89 CMA1 (0.46) POLBLMNAHTR6ALDH1A1KMT2A
SCHEMBL25411441 0.87 ALDH1A1 (0.40) PKMLMNAALDH1A1GAACMA1
SCHEMBL25411450 0.87 ALDH1A1 (0.40) PKMLMNAALDH1A1GAACMA1
SCHEMBL25413830 0.87 KDM4E (0.39) LMNAHTR6ALDH1A1CA1CMA1
SCHEMBL25413834 0.87 KDM4E (0.39) LMNAHTR6ALDH1A1CA1CMA1
SCHEMBL25413763 0.87 ALDH1A1 (0.38) PKMPOLBLMNAALDH1A1GAA

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-20230278959-A1 Synthesis of Optically Active Indoline Derivatives Via Ruthenium(II)-Catalyzed Enantioselective C-H Functionalization MISSISSIPPI STATE UNIVERSITY 2023-09-07 — — US disclosed
US-20230278959-A1 Synthesis of Optically Active Indoline Derivatives Via Ruthenium(II)-Catalyzed Enantioselective C-H Functionalization MISSISSIPPI STATE UNIVERSITY 2023-09-07 — — 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-20230278959-A1 Synthesis of Optically Active Indoline Derivatives Via Ruthenium(II)-Catalyzed Enantioselective C-H Functionalization INMT, IDO2, WEE2 PKM 517/4885POLB 2415/4885LMNA 2881/4885

“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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