SCHEMBL29212331

SCHEMBL29212331

COc1cc(N(C)S(C)(=O)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 5/20 0.46
PKM P14618 1/20 0.46
SIRT6 Q8N6T7 1/20 0.44
CYP19A1 P11511 2/20 0.44
POLB P06746 2/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL30184502 1.00 ALDH1A1 (0.46) ALDH1A1TDP1LMNAPKMSIRT6
SCHEMBL222267 0.83 MAPT (0.62) ALDH1A1TDP1LMNASIRT6MAPT
SCHEMBL3227183 0.80 MAPT (0.68) ALDH1A1PKMCYP19A1POLBMAPT
SCHEMBL15994474 0.78 ALDH1A1 (0.40) ALDH1A1TDP1LMNASIRT6POLB
SCHEMBL23933066 0.77 POLB (0.55) ALDH1A1LMNACYP19A1POLBMCOLN3
SCHEMBL6522436 0.76 SMN1; SMN2 (0.54) ALDH1A1TDP1LMNASIRT6POLB
SCHEMBL30184523 0.76 SMN1; SMN2 (0.54) ALDH1A1TDP1LMNASIRT6POLB
SCHEMBL18687304 0.76 ALDH1A1 (0.46) ALDH1A1PKMCYP19A1POLBMAPT
SCHEMBL23144776 0.76 MAPT (0.60) ALDH1A1TDP1LMNAPKMSIRT6
SCHEMBL6081388 0.76 ALDH1A1 (0.55) ALDH1A1TDP1LMNASIRT6POLB

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-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 US disclosed
CN-117813295-A Compounds targeting p53 mutants 北京加科思新药研发有限公司 2024-04-02 CN 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-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 TP53, TP53BP1, MDM2 ALDH1A1 2527/4885TDP1 412/4885LMNA 922/4885

“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.