SCHEMBL1700516

SCHEMBL1700516

CC1(C)OCC2(CCC(COc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)CO1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
CYP19A1 P11511 2/20 0.40
MAPT P10636 10/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39
BRD4 O60885 1/20 0.39
PKM P14618 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
POLB P06746 1/20 0.38
CA12 O43570 1/20 0.38
HTT P42858 2/20 0.37
VCAM1 P19320 1/20 0.37
GAA P10253 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 1/20 0.36
CA7 P43166 2/20 0.35

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
SCHEMBL1700457 0.90 LMNA (0.43) LMNACYP19A1MAPTNPSR1MAPK1
SCHEMBL29855648 0.90 LMNA (0.43) LMNACYP19A1MAPTNPSR1MAPK1
SCHEMBL1700700 0.85 CA2 (0.44) LMNACYP19A1MAPTNPSR1MAPK1
SCHEMBL1700699 0.85 CA2 (0.44) LMNACYP19A1MAPTNPSR1MAPK1
SCHEMBL1700698 0.85 CA2 (0.44) LMNACYP19A1MAPTNPSR1MAPK1
SCHEMBL1700056 0.81 LMNA (0.51) LMNAMAPTBRD4CA1CA2
SCHEMBL2698145 0.80 LMNA (0.42) LMNACYP19A1MAPTNPSR1MAPK1
SCHEMBL22581459 0.79 LMNA (0.43) LMNAMAPTNPSR1MAPK1PKM
SCHEMBL30777650 0.79 LMNA (0.43) LMNAMAPTNPSR1MAPK1PKM
SCHEMBL1699921 0.78 BRD4 (0.45) LMNACYP19A1MAPTNPSR1BRD4

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 LMNA 2607/4885CYP19A1 3870/4885MAPT 4105/4885
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 LMNA 2607/4885CYP19A1 3870/4885MAPT 4105/4885

“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.