SCHEMBL1400664

SCHEMBL1400664

CCCN(CCCOc1ccc2c(c1)CC[C@H]2CC(=O)O)c1nccc(-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.59
PPARG P37231 1/20 0.59
PPARD Q03181 19/20 0.56

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
SCHEMBL1400637 0.90 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL1400864 0.88 PPARA (0.64) PPARAPPARGPPARD
SCHEMBL3010235 0.85 PPARD (0.63) PPARAPPARGPPARD
SCHEMBL1400669 0.84 PPARA (0.65) PPARAPPARGPPARD
SCHEMBL12798873 0.83 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL3109294 0.83 PPARA (0.75) PPARAPPARGPPARD
SCHEMBL3023421 0.82 PPARA (0.60) PPARAPPARGPPARD
SCHEMBL1400615 0.81 PPARA (0.67) PPARAPPARGPPARD
SCHEMBL3122300 0.81 PPARA (0.62) PPARAPPARGPPARD
SCHEMBL12849333 0.81 PPARA (0.49) PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7906653-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2011-03-15 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-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation CANTIN LOUIS-DAVID 2010-08-12 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 (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-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP PPARA 365/4885PPARG 578/4885PPARD 978/4885
US-20120141483-A1 METHODS OF TREATING OR PREVENTING PSORIASIS, AND/OR ALZHEIMER'S DISEASE USING INDANE ACETIC ACID DERIVATIVES APP, MAPT, TNF PPARA 56/4885PPARG 81/4885PPARD 371/4885

“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.