SCHEMBL3500538

SCHEMBL3500538

COC(=O)c1ccc(F)cc1Oc1cccc(/N=C(/Cl)C(F)(F)F)c1CBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.38
PDK2 Q15119 3/20 0.36
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SCN8A Q9UQD0 3/20 0.34
SCN10A Q9Y5Y9 3/20 0.34
EPAS1 Q99814 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
MAPK10 P53779 1/20 0.32
KMT2A Q03164 1/20 0.32
PTK2B Q14289 1/20 0.32
NCOA1 Q15788 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
PLA2G2A P14555 1/20 0.32

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
SCHEMBL1954938 1.00 FFAR4 (0.38) FFAR4PDK2SLC6A4SLC6A3SCN8A
SCHEMBL3500510 0.88 PDK2 (0.38) FFAR4PDK2SLC6A4SLC6A3SCN8A
SCHEMBL1958655 0.88 PDK2 (0.38) FFAR4PDK2SLC6A4SLC6A3SCN8A
SCHEMBL1954937 0.75 FFAR4 (0.37) FFAR4PDK2SLC6A4SLC6A3SCN8A
SCHEMBL1956620 0.70 FFAR4 (0.44) FFAR4PDK2SLC6A4SLC6A3SCN8A
SCHEMBL1958956 0.70 GCK (0.45) FFAR4SLC6A4SLC6A3SCN8ASCN10A
SCHEMBL1959198 0.69 SLC6A3 (0.51) FFAR4SLC6A4SLC6A3MEN1MAPT
SCHEMBL1958771 0.69 ALDH1A1 (0.45) FFAR4PDK2SLC6A4SLC6A3MAPT
SCHEMBL6899075 0.69 LTB4R (0.50) FFAR4PDK2SLC6A4SLC6A3TSHR
SCHEMBL1960052 0.68 FFAR4 (0.46) FFAR4PDK2SLC6A4SLC6A3SCN8A

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 14 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
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

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 FFAR4 3784/4885PDK2 2289/4885SLC6A4 4857/4885
US-20100298323-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 FFAR4 3784/4885PDK2 2289/4885SLC6A4 4857/4885
US-20150183775-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 FFAR4 3784/4885PDK2 2289/4885SLC6A4 4857/4885
US-20140088106-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 FFAR4 3784/4885PDK2 2289/4885SLC6A4 4857/4885
US-20100160322-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 FFAR4 3784/4885PDK2 2289/4885SLC6A4 4857/4885
US-20160304451-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 FFAR4 3784/4885PDK2 2289/4885SLC6A4 4857/4885
US-20140066621-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 FFAR4 3784/4885PDK2 2289/4885SLC6A4 4857/4885

“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.