SCHEMBL25417577

SCHEMBL25417577

CCOC1(COc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPT P10636 6/20 0.43
ALDH1A1 P00352 3/20 0.43
CA2 P00918 5/20 0.41
CA1 P00915 4/20 0.41
CA9 Q16790 4/20 0.41
CA12 O43570 2/20 0.41
PKM P14618 2/20 0.41
POLB P06746 2/20 0.41
VCAM1 P19320 1/20 0.40
GAA P10253 3/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.39
CA7 P43166 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL18690053 0.83 MAPT (0.39) LMNAMAPTALDH1A1CA2CA1
SCHEMBL25415098 0.80 CA2 (0.46) LMNAMAPTALDH1A1CA2CA1
SCHEMBL6112716 0.80 LMNA (0.60) LMNAMAPTALDH1A1CA2CA1
SCHEMBL1700221 0.78 LMNA (0.49) LMNAMAPTALDH1A1CA2CA1
SCHEMBL1958870 0.77 LMNA (0.47) LMNAMAPTALDH1A1CA2CA1
SCHEMBL6987681 0.76 POLB (0.44) LMNAMAPTALDH1A1CA2CA1
SCHEMBL1700214 0.76 LMNA (0.51) LMNAMAPTALDH1A1CA2CA1
SCHEMBL30467987 0.76 LMNA (0.51) LMNAMAPTALDH1A1CA2CA1
SCHEMBL21331190 0.74 MAPT (0.50) LMNAMAPTALDH1A1CA2CA1
SCHEMBL1700634 0.73 CA2 (0.43) LMNAMAPTALDH1A1CA2CA1

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-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2023-05-11 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-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 LMNA 2720/4885MAPT 3890/4885ALDH1A1 4238/4885

“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.