SCHEMBL25411441

SCHEMBL25411441

Cc1ccc(S(=O)(=O)N2C[C@H](Cc3ccccc3)c3c(C=O)cccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ NLRP3 Q96P20 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ UBE2N P61088 1/20 0.40
▸ KCNN4 O15554 1/20 0.39
▸ KCNA3 P22001 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CMA1 P23946 2/20 0.38
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ACHE P22303 2/20 0.36
▸ BCHE P06276 1/20 0.36
▸ MMP2 P08253 1/20 0.36

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
SCHEMBL25411450 1.00 ALDH1A1 (0.40) ALDH1A1NLRP3KDM4EUBE2NKCNN4
SCHEMBL25413834 0.96 KDM4E (0.39) ALDH1A1NLRP3KDM4EUBE2NKCNN4
SCHEMBL25413830 0.96 KDM4E (0.39) ALDH1A1NLRP3KDM4EUBE2NKCNN4
SCHEMBL25408807 0.92 CMA1 (0.46) ALDH1A1KDM4EUBE2NKCNN4KCNA3
SCHEMBL25408804 0.92 CMA1 (0.46) ALDH1A1KDM4EUBE2NKCNN4KCNA3
SCHEMBL25410168 0.91 ACHE (0.38) KDM4EUBE2NKCNN4KCNA3LMNA
SCHEMBL25410176 0.91 ACHE (0.38) KDM4EUBE2NKCNN4KCNA3LMNA
SCHEMBL25413134 0.89 CA1 (0.42) ALDH1A1LMNASMN1; SMN2MAPTPKM
SCHEMBL25412364 0.88 ALDH1A1 (0.40) ALDH1A1NLRP3KDM4EUBE2NKCNN4
SCHEMBL25412368 0.88 ALDH1A1 (0.40) ALDH1A1NLRP3KDM4EUBE2NKCNN4

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 ALDH1A1 3453/4885NLRP3 2466/4885KDM4E 2468/4885

“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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