SCHEMBL25170396

SCHEMBL25170396

C[C@]1(O)CC[C@H](COc2ccc(S(N)(=O)=O)cc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
SCN9A Q15858 9/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
P2RX4 Q99571 1/20 0.39
KMO O15229 2/20 0.39
HPGD P15428 3/20 0.38

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
SCHEMBL1812043 1.00 BRD4 (0.43) BRD4SCN9ACA12CA1CA2
SCHEMBL1812044 1.00 BRD4 (0.43) BRD4SCN9ACA12CA1CA2
SCHEMBL1958040 0.84 BRD4 (0.44) BRD4
SCHEMBL1958037 0.84 BRD4 (0.44) BRD4
SCHEMBL1958038 0.84 BRD4 (0.44) BRD4
SCHEMBL1700698 0.83 CA2 (0.44) BRD4CA12CA1CA2CA9
SCHEMBL1700699 0.83 CA2 (0.44) BRD4CA12CA1CA2CA9
SCHEMBL1700700 0.83 CA2 (0.44) BRD4CA12CA1CA2CA9
SCHEMBL1700744 0.83 KMO (0.46) BRD4CA12CA1CA2CA4
SCHEMBL1700740 0.83 KMO (0.46) BRD4CA12CA1CA2CA4

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 BRD4 304/4885SCN9A 4497/4885CA12 1381/4885

“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.