SCHEMBL4454645

SCHEMBL4454645

COc1ncc(-c2ccc(-c3nc(CCOc4ccc5c(c4)CC[C@H]5CC(=O)O)c(C)o3)cc2)c(OC)n1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.79
PPARA Q07869 19/20 0.79
PPARD Q03181 1/20 0.76

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
SCHEMBL4455878 0.94 PPARG (0.76) PPARGPPARAPPARD
SCHEMBL4452141 0.92 PPARG (0.66) PPARGPPARAPPARD
SCHEMBL30515117 0.88 PPARG (1.00) PPARGPPARA
SCHEMBL18095621 0.88 PPARG (1.00) PPARGPPARA
SCHEMBL4680474 0.88 PPARG (1.00) PPARGPPARA
SCHEMBL1400636 0.87 PPARD (1.00) PPARAPPARD
SCHEMBL4683362 0.86 PPARG (0.86) PPARGPPARA
SCHEMBL4678920 0.86 PPARA (1.00) PPARGPPARA
SCHEMBL820903 0.86 PPARA (1.00) PPARGPPARA
SCHEMBL30515161 0.86 PPARA (1.00) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130195798-A1 COMBINATION THERAPY FOR TREATMENT OF VIRAL INFECTIONS THE CHANCELLORS, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2013-08-01 US disclosed
EP-2054076-A2 COMBINATION THERAPY FOR TREATMENT OF VIRAL INFECTIONS United Therapeutics Corporation (US) 2009-05-06 EP disclosed
US-7476742-B2 Indane acetic acid derivatives and their use as pharmaceutical agents BAYER PHARMACEUTICALS CORPORATION (US) 2009-01-13 US disclosed
US-7476742-B2 Indane acetic acid derivatives and their use as pharmaceutical agents BAYER PHARMACEUTICALS CORPORATION (US) 2009-01-13 US disclosed
US-7476742-B2 Indane acetic acid derivatives and their use as pharmaceutical agents BAYER PHARMACEUTICALS CORPORATION (US) 2009-01-13 US disclosed
US-20080131398-A1 Glucosidase inhibitors; interferons; antifibrotics; hepatitis UNITED THERAPEUTICS CORPORATION 2008-06-05 US disclosed
WO-2008063727-A2 COMBINATION THERAPY FOR TREATMENT OF VIRAL INFECTIONS UNITED THERAPEUTICS CORPORATION (US) 2008-05-29 WO disclosed
US-20050107392-A1 Indane acetic acid derivatives and their use as pharmaceutical agents BAYER PHARMACEUTICALS CORPORATION (US) 2005-05-19 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 (3 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-20050107392-A1 Indane acetic acid derivatives and their use as pharmaceutical agents GPR119, INSR, IRS1 PPARG 280/4885PPARA 156/4885PPARD 467/4885
US-20080131398-A1 Glucosidase inhibitors; interferons; antifibrotics; hepatitis GBA3, EIF2AK2, GAA PPARG 710/4885PPARA 955/4885PPARD 983/4885
US-20130195798-A1 COMBINATION THERAPY FOR TREATMENT OF VIRAL INFECTIONS EIF2AK2, ZC3HAV1, HAVCR2 PPARG 2565/4885PPARA 2017/4885PPARD 2547/4885

“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.