SCHEMBL1700778

SCHEMBL1700778

CC(C)(C)C(NC(=O)O)C1CCC(F)(F)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
PYGL P06737 1/20 0.32
CYP2C9 P11712 1/20 0.32
USP30 Q70CQ3 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
KCNQ4 P56696 1/20 0.32
KCNQ5 Q9NR82 1/20 0.32
P2RX7 Q99572 1/20 0.31

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
SCHEMBL561926 0.83 ALDH1A1 (0.30)
SCHEMBL1700485 0.83 ALDH1A1 (0.30)
SCHEMBL562470 0.83 ALDH1A1 (0.30)
SCHEMBL1863879 0.79 P2RX7 (0.35) P2RX7
SCHEMBL1700211 0.78 CTSS (0.31)
SCHEMBL1743295 0.77 SHBG (0.35) EPHX2
SCHEMBL482200 0.77 SHBG (0.35) EPHX2
SCHEMBL1192553 0.76 SMYD3 (0.31)
SCHEMBL16336795 0.76 SMYD3 (0.31)
SCHEMBL5310735 0.76 CPN1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11369599-B2 Melt-extruded solid dispersions containing an apoptosis-inducing agent ABBVIE INC. (US) 2022-06-28 US disclosed
US-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2018-09-06 US 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-9315488-B2 Bcl-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE INC. (US) 2016-04-19 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-20160009687-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC (US) 2016-01-14 US disclosed
US-20150329541-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2015-11-19 US disclosed
US-9174982-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-11-03 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-20150157639-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBVIE INC. 2015-06-11 US disclosed
US-20150148331-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBOTT GMBH & CO. KG (DE) 2015-05-28 US disclosed
US-8563735-B2 Bcl-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE INC. (US) 2013-10-22 US 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
EP-2376480-A2 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed
WO-2011068561-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 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
US-20100152183-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-17 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 (10 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 EPHX2 3825/4885PYGL 2019/4885CYP2C9 4868/4885
US-20100152183-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 EPHX2 3503/4885PYGL 1118/4885CYP2C9 4858/4885
US-11369599-B2 Melt-extruded solid dispersions containing an apoptosis-inducing agent BCL2, BAX, BCL2L1 EPHX2 4513/4885PYGL 1835/4885CYP2C9 3879/4885
US-20150329541-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 EPHX2 3784/4885PYGL 1853/4885CYP2C9 4870/4885
US-20150157639-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 EPHX2 4568/4885PYGL 1324/4885CYP2C9 4181/4885
US-20150183775-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 EPHX2 3825/4885PYGL 2019/4885CYP2C9 4868/4885
US-20160009687-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 EPHX2 3503/4885PYGL 1118/4885CYP2C9 4858/4885
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 EPHX2 3825/4885PYGL 2019/4885CYP2C9 4868/4885
US-20160304451-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 EPHX2 3825/4885PYGL 2019/4885CYP2C9 4868/4885
US-20150148331-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT BCL2, BAX, BCL2L1 EPHX2 4513/4885PYGL 1835/4885CYP2C9 3879/4885

“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.