SCHEMBL1700465

SCHEMBL1700465

COC[C@H]1CC[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.55
PKM P14618 4/20 0.55
POLB P06746 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
TDP1 Q9NUW8 1/20 0.49
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 2/20 0.46
BRD4 O60885 2/20 0.45
MAPK1 P28482 1/20 0.45
DOT1L Q8TEK3 1/20 0.44

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
SCHEMBL1700469 1.00 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL1700574 1.00 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL1811004 0.89 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL523822 0.89 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL523824 0.89 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL31286223 0.89 MAPT (0.55) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL1956219 0.86 MAPT (0.56) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL1956216 0.86 MAPT (0.56) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL1700745 0.86 MAPT (0.52) MAPTPKMPOLBSMN1; SMN2TDP1
SCHEMBL1700746 0.86 MAPT (0.52) MAPTPKMPOLBSMN1; SMN2TDP1

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 8 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
CN-103153993-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2013-06-12 CN 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 MAPT 4105/4885PKM 4645/4885POLB 1831/4885
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 MAPT 4105/4885PKM 4645/4885POLB 1831/4885

“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.