SCHEMBL25411819

SCHEMBL25411819

Cc1ccc(S(=O)(=O)N2C[C@H](Cc3ccccc3)c3c2ccc(C(F)(F)F)c3C=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CAPN1 P07384 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CMA1 P23946 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KCNN4 O15554 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
SCHEMBL25411828 1.00 GAA (0.39) GAAALDH1A1NLRP3CYP3A4CYP2D6
SCHEMBL25411871 0.87 ALDH1A1 (0.39) GAAALDH1A1NLRP3CAPN1MAPT
SCHEMBL25411864 0.87 ALDH1A1 (0.39) GAAALDH1A1NLRP3CAPN1MAPT
SCHEMBL26308101 0.87 ALDH1A1 (0.40) GAAALDH1A1NLRP3CAPN1MAPT
SCHEMBL25410730 0.83 HTR6 (0.40) ALDH1A1NLRP3MAPTSMN1; SMN2CMA1
SCHEMBL25410726 0.83 HTR6 (0.40) ALDH1A1NLRP3MAPTSMN1; SMN2CMA1
SCHEMBL25413587 0.81 GAA (0.44) GAAALDH1A1NLRP3CYP3A4CYP2C9
SCHEMBL25413591 0.81 GAA (0.44) GAAALDH1A1NLRP3CYP3A4CYP2C9
SCHEMBL25411450 0.81 ALDH1A1 (0.40) GAAALDH1A1NLRP3CYP2C9CYP2C19
SCHEMBL25411441 0.81 ALDH1A1 (0.40) GAAALDH1A1NLRP3CYP2C9CYP2C19

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 GAA 4101/4885ALDH1A1 3453/4885NLRP3 2466/4885

“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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