SCHEMBL24980893

SCHEMBL24980893

CCC(C)C(C)S(=O)(=O)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.47
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
IL1RN P18510 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
NR3C2 P08235 3/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
AR P10275 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL14191076 0.81 KEAP1 (0.50) KEAP1CA1CA2IL1RNERAP1
SCHEMBL4099446 0.77 KEAP1 (0.58) KEAP1CA1CA2IL1RNERAP1
SCHEMBL21283390 0.75 KEAP1 (0.47) KEAP1CA1CA2IL1RNERAP1
SCHEMBL7724502 0.74 KEAP1 (0.46) KEAP1CA1CA2IL1RNERAP1
SCHEMBL28215832 0.74 KEAP1 (0.46) KEAP1CA1CA2IL1RNERAP1
SCHEMBL18722578 0.73 KEAP1 (0.54) KEAP1CA1CA2IL1RNERAP1
SCHEMBL18638754 0.73 KEAP1 (0.54) KEAP1CA1CA2IL1RNERAP1
SCHEMBL21239626 0.73 KEAP1 (0.48) KEAP1CA1CA2IL1RNERAP1
SCHEMBL17323164 0.72 PSIP1 (0.48) CA1CA2CA12CA9LMNA
SCHEMBL6332337 0.71 MMP2 (0.44) KEAP1CA1CA2CA12CA9

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-20230032020-A1 SMALL-MOLECULE COVALENT INHIBITION OF RAL GTPASES NATIONAL INSTITUTES OF HEALTH 2023-02-02 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-20230032020-A1 SMALL-MOLECULE COVALENT INHIBITION OF RAL GTPASES RALA, KRAS, HRAS KEAP1 1432/4885CA1 3899/4885CA2 1627/4885

“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.