SCHEMBL3585884

SCHEMBL3585884

CC(C)(C)OC(=O)C(C)(C)Oc1ccc(C(=O)Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.48
PPARG P37231 7/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
TSHR P16473 3/20 0.48
LMNA P02545 3/20 0.48
ABCB11 O95342 2/20 0.48
HTR2A P28223 2/20 0.48
PMP22 Q01453 2/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
CYP2C19 P33261 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2C9 P11712 2/20 0.48
BLM P54132 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADRB3 P13945 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL977500 0.85 CA1 (0.48) PPARAPPARGCYP1A2CYP3A4TSHR
SCHEMBL23903398 0.83 PPARA (0.66) PPARAPPARGCYP1A2CYP3A4TSHR
SCHEMBL2154207 0.82 PPARA (0.46) PPARAPPARGCYP1A2CYP3A4TSHR
SCHEMBL2826124 0.82 CA1 (0.53) PPARAPPARGCYP1A2CYP3A4TSHR
SCHEMBL6081148 0.81 MEN1 (0.49) PPARAPPARGCYP1A2CYP3A4TSHR
SCHEMBL5727051 0.79 PPARA (0.45) PPARAPPARGCYP1A2CYP3A4TSHR
SCHEMBL12426828 0.79 PPARA (0.45) PPARAPPARGCYP1A2CYP3A4TSHR
SCHEMBL3435787 0.79 PPARA (0.45) PPARAPPARGCYP1A2CYP3A4TSHR
SCHEMBL18804484 0.79 PPARA (0.46) PPARAPPARGCYP1A2CYP3A4TSHR
SCHEMBL31019637 0.78 PPARA (0.46) PPARAPPARGCYP1A2CYP3A4TSHR

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-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 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 (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-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA PPARA 3/4885PPARG 1/4885CYP1A2 658/4885

“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.