SCHEMBL2477245

SCHEMBL2477245

NS(=O)(=O)c1ccc(OCC2(F)CCN(C(CF)CF)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
CA2 P00918 7/20 0.38
CA1 P00915 5/20 0.38
CA9 Q16790 5/20 0.38
CA12 O43570 1/20 0.38
VCAM1 P19320 1/20 0.38
HTT P42858 1/20 0.36
DOT1L Q8TEK3 1/20 0.36
ATM Q13315 1/20 0.35
CA7 P43166 4/20 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
SCHEMBL1700952 0.84 LMNA (0.45) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL19183113 0.83 LMNA (0.42) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL1701837 0.83 MAPT (0.41) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL29482089 0.81 LMNA (0.48) MAPTALDH1A1LMNAPOLBCA2
SCHEMBL1700634 0.81 CA2 (0.43) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL30921523 0.81 CA2 (0.43) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL523821 0.81 LMNA (0.48) MAPTALDH1A1LMNAPOLBCA2
SCHEMBL1700142 0.81 CA2 (0.43) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL1700380 0.81 LMNA (0.42) MAPTALDH1A1GAAKDM4ELMNA
SCHEMBL1702077 0.80 BCL2 (0.43) MAPTALDH1A1LMNAPOLBCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2018-09-06 US disclosed
EP-2376197-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2017-02-15 EP disclosed
EP-3112361-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2017-01-04 EP disclosed
US-20160304451-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-10-20 US disclosed
US-9303025-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2016-04-05 US disclosed
US-20150183775-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES 2015-07-02 US disclosed
US-9029404-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-05-12 US disclosed
US-8952157-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-02-10 US disclosed
EP-2507211-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2014-06-18 EP disclosed
US-20140088106-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2014-03-27 US disclosed
US-20140066621-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2014-03-06 US disclosed
US-8557983-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2013-10-15 US disclosed
EP-2376197-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed
US-20100298323-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-11-25 US disclosed
US-20100160322-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-24 US disclosed
WO-2010065824-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO 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 (7 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-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 MAPT 4105/4885ALDH1A1 4257/4885GAA 2733/4885
US-20100298323-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 MAPT 4105/4885ALDH1A1 4257/4885GAA 2733/4885
US-20150183775-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 MAPT 4105/4885ALDH1A1 4257/4885GAA 2733/4885
US-20140088106-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 MAPT 4105/4885ALDH1A1 4257/4885GAA 2733/4885
US-20100160322-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 MAPT 4105/4885ALDH1A1 4257/4885GAA 2733/4885
US-20160304451-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 MAPT 4105/4885ALDH1A1 4257/4885GAA 2733/4885
US-20140066621-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 MAPT 4105/4885ALDH1A1 4257/4885GAA 2733/4885

“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.