SCHEMBL25412408

SCHEMBL25412408

Cc1ccc(S(=O)(=O)N2CC(CC(=O)O)c3c(C=O)cccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ UBE2N P61088 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ KCNN4 O15554 1/20 0.37
▸ KCNA3 P22001 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL25412405 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EUBE2NRORCKCNN4
SCHEMBL26307939 0.91 ALDH1A1 (0.40) ALDH1A1KDM4EUBE2NKCNN4KCNA3
SCHEMBL26308115 0.89 NPC1 (0.41) ALDH1A1KDM4EUBE2NRORCKCNN4
SCHEMBL25411156 0.88 KCNN4 (0.42) ALDH1A1KDM4EUBE2NKCNN4KCNA3
SCHEMBL25411163 0.88 KCNN4 (0.42) ALDH1A1KDM4EUBE2NKCNN4KCNA3
SCHEMBL25411450 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EUBE2NKCNN4KCNA3
SCHEMBL25411441 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EUBE2NKCNN4KCNA3
SCHEMBL25413830 0.86 KDM4E (0.39) ALDH1A1KDM4EUBE2NKCNN4KCNA3
SCHEMBL25413834 0.86 KDM4E (0.39) ALDH1A1KDM4EUBE2NKCNN4KCNA3
SCHEMBL26307937 0.86 KDM4E (0.39) ALDH1A1KDM4EUBE2NKCNN4KCNA3

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-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 3453/4885KDM4E 2468/4885UBE2N 1961/4885

“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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