SCHEMBL1700467

SCHEMBL1700467

COC[C@H]1CC[C@@H](N(C)c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
VCAM1 P19320 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 5/20 0.40
GAA P10253 3/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL1700575 1.00 CA2 (0.42) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL1700503 1.00 CA2 (0.42) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL27924863 0.86 CA2 (0.44) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL523823 0.86 CA2 (0.44) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL1811003 0.86 CA2 (0.44) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL1956217 0.85 CA2 (0.47) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL1700682 0.84 CA2 (0.49) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL27906253 0.84 CA2 (0.49) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL27671287 0.83 ALDH1A1 (0.53) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL523814 0.82 HTT (0.52) CA2CA12CA1CA9SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576546-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE BAHAMAS LTD (BS) 2015-07-22 EP disclosed
US-9034875-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-05-19 US disclosed
US-8580794-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2013-11-12 US disclosed
US-20130267514-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2013-10-10 US disclosed
EP-2576546-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-04-10 EP disclosed
WO-2011149492-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-26 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-20130267514-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CA2 2352/4885CA12 1100/4885CA1 1290/4885
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CA2 2352/4885CA12 1100/4885CA1 1290/4885

“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.