SCHEMBL22308528

SCHEMBL22308528

CC(C)C1CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.51
PARL Q9H300 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HSD11B1 P28845 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
MAPT P10636 2/20 0.44
MMP2 P08253 3/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 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
SCHEMBL7118462 0.81 L3MBTL1 (0.50) ACHEALDH1A1HTTMMP2LMNA
SCHEMBL7118457 0.81 L3MBTL1 (0.50) ACHEALDH1A1HTTMMP2LMNA
SCHEMBL21465092 0.81 L3MBTL1 (0.50) ACHEALDH1A1HTTMMP2LMNA
SCHEMBL14738049 0.81 ACHE (0.65) ACHEPARLALDH1A1HSD11B1SMN1; SMN2
SCHEMBL7122701 0.81 ACHE (0.65) ACHEPARLALDH1A1HSD11B1SMN1; SMN2
SCHEMBL7125327 0.80 TRPA1 (0.48) ALDH1A1SMN1; SMN2MAPTMMP2TDP1
SCHEMBL7125321 0.80 TRPA1 (0.48) ALDH1A1SMN1; SMN2MAPTMMP2TDP1
SCHEMBL7129560 0.79 TSHR (0.65) ACHEALDH1A1MMP2L3MBTL1
SCHEMBL7129555 0.79 TSHR (0.65) ACHEALDH1A1MMP2L3MBTL1
SCHEMBL7121012 0.77 HSD11B1 (0.56) ALDH1A1HSD11B1HTTMMP2

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-11358940-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-14 US disclosed
US-20200247762-A1 K-RAS MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-06 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-20200247762-A1 K-RAS MODULATORS KRAS, HRAS, NRAS ACHE 4863/4885PARL 3506/4885ALDH1A1 3564/4885
US-11358940-B2 K-Ras modulators KRAS, HRAS, NRAS ACHE 4745/4885PARL 3944/4885ALDH1A1 3111/4885

“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.