SCHEMBL6412918

SCHEMBL6412918

[O-][S+](C1=CCc2ccccc2S1)C1=CCc2ccccc2S1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3077212 0.73 ALDH1A1 (0.44) KDM4EALDH1A1HPGD
SCHEMBL3833166 0.69 ALDH1A1 (0.38) KDM4EALDH1A1HPGD
SCHEMBL3074985 0.69 ALDH1A1 (0.37) KDM4EALDH1A1HPGD
SCHEMBL10442400 0.69 ALDH1A1 (0.37) KDM4EALDH1A1HPGD
SCHEMBL3074711 0.69 MEN1 (0.38) KDM4EALDH1A1HPGD
SCHEMBL14137780 0.69 MEN1 (0.38) KDM4EALDH1A1HPGD
SCHEMBL9216566 0.69 ALDH1A1 (0.37) KDM4EALDH1A1HPGD
SCHEMBL9008647 0.67 ALDH1A1 (0.39) KDM4EALDH1A1HPGD
SCHEMBL7822980 0.65 KDM4E (0.34) KDM4EALDH1A1HPGD
SCHEMBL6419546 0.65 ALDH1A1 (0.38) KDM4EALDH1A1HPGD

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-20050027007-A1 Allylamides useful in the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. 2005-02-03 US claimed
EP-1434580-A2 ALLYLAMIDES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-07-07 EP claimed
WO-2003030886-A2 ALLYLAMIDES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC (US) 2003-04-17 WO claimed
EP-0434365-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1991-06-26 EP claimed
US-20050027007-A1 Allylamides useful in the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. 2005-02-03 US disclosed
US-5668132-A HIV Protease inhibitors useful for the treatment of AIDS MERCK & CO., INC. (US) 1997-09-16 US disclosed
US-5527799-A ADMINISTERING MIXTURE OF TWO COMPOUNDS AND OPTIONAL AZT MERCK & CO., INC. (US) 1996-06-18 US disclosed
US-5502053-A HIV protease inhibitor compounds MERCK & CO., INC. (US) 1996-03-26 US disclosed
EP-0696277-A1 HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS MERCK & CO. INC. (US) 1996-02-14 EP disclosed
US-5413999-A structure is piperazine containing amides MERCK & CO., INC. (US) 1995-05-09 US disclosed
WO-1994026717-A1 HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS MERCK & CO., INC. (US) 1994-11-24 WO disclosed
WO-1994022480-A1 HIV PROTEASE INHIBITORS IN PHARMACEUTICAL COMBINATIONS FOR THE TREATMENT OF AIDS MERCK & CO., INC. (US) 1994-10-13 WO disclosed
EP-0617968-A1 HIV protease inhibitors in pharmaceutical combinant for the treatment of AIDS MERCK & CO. INC. (US) 1994-10-05 EP disclosed
WO-1993009096-A1 HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS MERCK & CO., INC. (US) 1993-05-13 WO disclosed
EP-0541168-A1 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1993-05-12 EP disclosed
EP-0534511-A1 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1993-03-31 EP disclosed
EP-0434365-A2 HIV protease inhibitors useful for the treatment of aids MERCK & CO. INC. (US) 1991-06-26 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 (1 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-20050027007-A1 Allylamides useful in the treatment of alzheimer's disease BACE1, BACE2, APBA1 KDM4E 3540/4885ALDH1A1 1362/4885HPGD 2963/4885

“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.