SCHEMBL21893365

SCHEMBL21893365

COc1cc(OO)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.65
ALDH1A1 P00352 4/20 0.65
POLB P06746 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.58
HPGD P15428 1/20 0.58
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 3/20 0.52
CYP19A1 P11511 2/20 0.51
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 2/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
CYTH2 Q99418 1/20 0.48
GLA P06280 1/20 0.48

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
SCHEMBL20578066 0.91 LMNA (0.73) LMNAALDH1A1POLBL3MBTL1HPGD
SCHEMBL1471641 0.81 LMNA (0.66) LMNAALDH1A1POLBL3MBTL1HPGD
SCHEMBL20578208 0.81 LMNA (0.85) LMNAALDH1A1POLBL3MBTL1HPGD
SCHEMBL8752473 0.81 HPGD (0.81) LMNAALDH1A1POLBL3MBTL1HPGD
SCHEMBL2239360 0.79 HPGD (0.74) LMNAALDH1A1POLBL3MBTL1HPGD
SCHEMBL5955364 0.79 LMNA (0.66) LMNAALDH1A1POLBL3MBTL1HPGD
SCHEMBL23014068 0.79 ALDH1A1 (0.67) LMNAALDH1A1POLBL3MBTL1HPGD
SCHEMBL28841731 0.76 KEAP1 (0.79) LMNAALDH1A1POLBL3MBTL1HPGD
SCHEMBL13265810 0.74 MAPT (0.51) LMNAALDH1A1POLBL3MBTL1HPGD
SCHEMBL20578056 0.74 LMNA (0.71) LMNAALDH1A1MEN1KMT2AMAPT

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-11795144-B2 Inhibitors of RAC1 and uses thereof for treating cancers INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-10-24 US disclosed
US-20200095199-A1 INHIBITORS OF RAC1 AND USES THEREOF FOR TREATING CANCERS NANTES UNIVERSITE (FR) 2020-03-26 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 (2 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-11795144-B2 Inhibitors of RAC1 and uses thereof for treating cancers RAC1, KRAS, CYRIB LMNA 3861/4885ALDH1A1 2069/4885POLB 2799/4885
US-20200095199-A1 INHIBITORS OF RAC1 AND USES THEREOF FOR TREATING CANCERS RAC1, KRAS, CYRIB LMNA 3861/4885ALDH1A1 2069/4885POLB 2799/4885

“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.