SCHEMBL1486789

SCHEMBL1486789

[O]C(=O)c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TYK2 P29597 1/20 0.42
NFKB1 P19838 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL2886248 0.86 LMNA (0.44) LMNAGAATYK2NFKB1KDM4E
SCHEMBL504216 0.81 CA12 (0.46) LMNAGAATYK2NFKB1ALDH1A1
SCHEMBL8447031 0.79 ALDH1A1 (0.48) LMNAGAATYK2NFKB1KDM4E
SCHEMBL7878426 0.79 MAOB (0.42) LMNAGAATYK2NFKB1KDM4E
SCHEMBL1995318 0.79 THRB (0.48) LMNAGAATYK2NFKB1KDM4E
SCHEMBL23908702 0.77 ALDH1A1 (0.51) LMNAGAATYK2NFKB1ALDH1A1
SCHEMBL16857987 0.77 LMNA (0.41) LMNAGAATYK2NFKB1KDM4E
SCHEMBL4083398 0.77 CA2 (0.40) LMNAGAATYK2NFKB1KDM4E
SCHEMBL3374645 0.77 TAS2R14 (0.46) LMNAGAATYK2MEN1KMT2A
SCHEMBL16888475 0.76 ALDH1A1 (0.42) LMNAGAATYK2KDM4EMEN1

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2023-05-23 US disclosed
US-11166951-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2021-11-09 US disclosed
US-20180250298-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor ACERTA PHARMA BV (NL) 2018-09-06 US disclosed
US-20170231986-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor ACERTA PHARMA B.V. (NL) 2017-08-17 US disclosed
EP-3179991-A1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PI3K INHIBITOR, A JAK-2 INHIBITOR, AND/OR A BCL-2 INHIBITOR Acerta Pharma B.V. (NL) 2017-06-21 EP disclosed
WO-2016024230-A1 THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PI3K INHIBITOR, A JAK-2 INHIBITOR, AND/OR A BCL-2 INHIBITOR ACERTA PHARMA B.V. (NL) 2016-02-18 WO disclosed
EP-2019671-B1 INTERMEDIATES FOR THE PREPARATION OF BIVALENT SMAC MIMETICS UNIV MICHIGAN (US) 2014-09-24 EP disclosed
EP-2139490-B1 DIAZO BICYCLIC SMAC MIMETICS AND THE USES THEREOF UNIV MICHIGAN (US) 2014-07-02 EP disclosed
US-8664212-B2 Diazo bicyclic Smac mimetics and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-03-04 US disclosed
US-8557812-B2 Small molecule inhibitors of anti-apoptotic BCL-2 family members and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-15 US disclosed
US-6495522-B1 PREVENTING APOPTOTIC CELL DEATH IN WHICH THE LOSS OF CELLS, TISSUES OR ENTIRE ORGANS OCCURS CYTOVIA, INC. 2002-12-17 US disclosed
EP-1165490-A4 SUBSTITUTED 2-AMINOBENZAMIDE CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA INC (US) 2002-09-18 EP disclosed
EP-1212295-A1 SUBSTITUTED $g(a)-HYDROXY ACID CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2002-06-12 EP disclosed
US-20020058631-A1 Caspase inhibitors and the use thereof CYTOVIA, INC. 2002-05-16 US disclosed
US-6355618-B1 ENZYME INHIBITORS CYTOVIA, INC. 2002-03-12 US disclosed
EP-1177168-A1 CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2002-02-06 EP disclosed
EP-1165490-A1 SUBSTITUTED 2-AMINOBENZAMIDE CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2002-01-02 EP disclosed
WO-2001016093-A1 SUBSTITUTED α-HYDROXY ACID CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-03-08 WO disclosed
WO-2000061542-A1 CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2000-10-19 WO disclosed
WO-2000055114-A1 SUBSTITUTED 2-AMINOBENZAMIDE CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2000-09-21 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 (5 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-20170231986-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor BTK, JAK2, BCL9 LMNA 3807/4885GAA 2112/4885TYK2 95/4885
US-20020058631-A1 Caspase inhibitors and the use thereof CASP1, CASP3, CASP10 LMNA 686/4885GAA 1099/4885TYK2 3191/4885
US-11166951-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 LMNA 3807/4885GAA 2112/4885TYK2 95/4885
US-20180250298-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a BCL-2 Inhibitor BTK, JAK2, BCL9 LMNA 3807/4885GAA 2112/4885TYK2 95/4885
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 LMNA 3807/4885GAA 2112/4885TYK2 95/4885

“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.