SCHEMBL6988844

SCHEMBL6988844

CC(C)C(=O)CCC(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.30

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
SCHEMBL12901417 0.86 CES2 (0.34)
SCHEMBL21077943 0.83
SCHEMBL14465255 0.81
SCHEMBL8552453 0.77
SCHEMBL31373041 0.76 CA1 (0.30)
SCHEMBL11289792 0.76
SCHEMBL26085414 0.75 CES2 (0.33)
SCHEMBL20910349 0.75 CES2 (0.33)
SCHEMBL620412 0.74 CA1 (0.36)
SCHEMBL6995147 0.74 HTT (0.32) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931082-B1 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2003-03-19 EP claimed
US-6221894-B1 ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS. MERCK & CO., INC. 2001-04-24 US claimed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-08-22 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-23 US disclosed
US-10988451-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2021-04-27 US disclosed
US-20200331870-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2020-10-22 US disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
US-10189836-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2019-01-29 US disclosed
US-20140057893-A1 SUBSTITUTED CYCLOPROPLY COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2014-02-27 US disclosed
US-20130045951-A1 Novel Nitroso Compounds as Nitroxyl Donors and Methods of Use Thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2013-02-21 US disclosed
US-20130045951-A1 Novel Nitroso Compounds as Nitroxyl Donors and Methods of Use Thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2013-02-21 US disclosed
US-8318705-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2012-11-27 US disclosed
WO-2012138845-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-10-11 WO disclosed
WO-2009137717-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF CARDIOXYL PHARMACEUTICALS INC. (US) 2009-11-12 WO disclosed
US-20090281062-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF EVOTEC LTD. (GB) 2009-11-12 US disclosed
US-20090281062-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF EVOTEC LTD. (GB) 2009-11-12 US disclosed
EP-0931082-B1 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2003-03-19 EP 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 (11 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-20140057893-A1 SUBSTITUTED CYCLOPROPLY COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 HTT 2788/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 HTT 2323/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 HTT 2323/4885
US-10189836-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 HTT 4231/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 HTT 2323/4885
US-11731943-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 HTT 3689/4885
US-20090281062-A1 NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF NOXO1, TNNI3, HAO2 HTT 2710/4885
US-20130045951-A1 Novel Nitroso Compounds as Nitroxyl Donors and Methods of Use Thereof NOXO1, TNNI3, HAO2 HTT 2710/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HTT 4749/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 HTT 2323/4885
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors TLR9, TLR7, TLR8 HTT 3143/4885

“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.