SCHEMBL1400871

SCHEMBL1400871

CC(=O)c1sc(-c2ccc(CCCNCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)nc2)nc1C

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.76
PPARD Q03181 13/20 0.76
PPARG P37231 7/20 0.58

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
SCHEMBL1400493 0.93 PPARA (0.77) PPARAPPARDPPARG
SCHEMBL1400282 0.88 PPARA (0.78) PPARAPPARDPPARG
SCHEMBL3125598 0.86 PPARA (0.77) PPARAPPARDPPARG
SCHEMBL1400810 0.86 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL1400856 0.86 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL1400985 0.85 PPARD (0.76) PPARAPPARD
SCHEMBL1400489 0.84 PPARD (0.77) PPARAPPARD
SCHEMBL3117496 0.83 PPARA (0.74) PPARAPPARDPPARG
SCHEMBL1400676 0.80 PPARD (1.00) PPARAPPARD
SCHEMBL1400184 0.80 PPARA (0.77) PPARAPPARDPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018102358-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE T3D THERAPEUTICS, INC. (US) 2018-06-07 WO disclosed
US-20120141483-A1 METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. 2012-06-07 US disclosed
EP-1578715-B1 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORP (US) 2011-03-02 EP disclosed
US-7714004-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2010-05-11 US disclosed
US-20060084680-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-20 US disclosed
EP-1578715-A2 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION Bayer Pharmaceuticals Corporation (US) 2005-09-28 EP disclosed
WO-2004058174-A2 INDANE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS, INTERMEDIATES, AND METHOD OF PREPARATION BAYER PHARMACEUTICALS CORPORATION (US) 2004-07-15 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 (2 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-20060084680-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP PPARA 365/4885PPARD 978/4885PPARG 578/4885
US-20120141483-A1 METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES APP, MAPT, TNF PPARA 56/4885PPARD 371/4885PPARG 81/4885

“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.