SCHEMBL12799028

SCHEMBL12799028

CCOC(=O)C[C@@H]1CCc2cc(SC(=O)N(C)C)ccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 13/20 0.43
ACHE P22303 1/20 0.42
HSD17B1 P14061 1/20 0.42
ALDH1A1 P00352 1/20 0.39
PPARA Q07869 5/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
FFAR1 O14842 2/20 0.37

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
SCHEMBL3023059 0.85 FFAR1 (0.51) PPARDACHEPPARAFFAR1
SCHEMBL16077453 0.80 PPARD (0.53) PPARDHSD17B1PPARACYP11B1CYP11B2
SCHEMBL13284781 0.80 PPARD (0.53) PPARDHSD17B1PPARACYP11B1CYP11B2
SCHEMBL820900 0.78 HSD17B1 (0.61) PPARDHSD17B1PPARAFFAR1
SCHEMBL12035621 0.78 HSD17B1 (0.61) PPARDHSD17B1PPARAFFAR1
SCHEMBL30515129 0.78 HSD17B1 (0.61) PPARDHSD17B1PPARAFFAR1
SCHEMBL2464209 0.78 HSD17B1 (0.61) PPARDHSD17B1PPARAFFAR1
SCHEMBL3962243 0.77 PPARD (0.48) PPARDHSD17B1PPARACYP11B1CYP11B2
SCHEMBL12799026 0.77 PPARD (0.49) PPARDHSD17B1PPARAFFAR1
SCHEMBL12035617 0.76 PPARD (0.60) PPARDPPARA

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
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
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
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
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-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

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-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP PPARD 978/4885ACHE 196/4885HSD17B1 149/4885

“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.