SCHEMBL25416611

SCHEMBL25416611

CCN1CCC(COc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MAPT P10636 6/20 0.47
POLB P06746 2/20 0.43
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 3/20 0.42
SIGMAR1 Q99720 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PKM P14618 1/20 0.41
F2 P00734 2/20 0.41
VCAM1 P19320 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1700025 0.89 LMNA (0.48) LMNAMAPTPOLBBRD4ALDH1A1
SCHEMBL30467937 0.89 LMNA (0.48) LMNAMAPTPOLBBRD4ALDH1A1
SCHEMBL1700056 0.83 LMNA (0.51) LMNAMAPTPOLBBRD4ALDH1A1
SCHEMBL1699922 0.82 BRD4 (0.45) LMNAMAPTPOLBBRD4ALDH1A1
SCHEMBL1699921 0.82 BRD4 (0.45) LMNAMAPTPOLBBRD4ALDH1A1
SCHEMBL1700369 0.82 BRD4 (0.45) LMNAMAPTPOLBBRD4ALDH1A1
SCHEMBL1700380 0.82 LMNA (0.42) LMNAMAPTPOLBBRD4ALDH1A1
SCHEMBL1700651 0.82 LMNA (0.47) LMNAMAPTPOLBBRD4ALDH1A1
SCHEMBL1700850 0.82 IKBKB (0.50) LMNAMAPTPOLBBRD4ALDH1A1
SCHEMBL522841 0.82 CA2 (0.48) LMNAMAPTPOLBBRD4ALDH1A1

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 3890/4885POLB 1702/4885

“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.