SCHEMBL10281156

SCHEMBL10281156

CCc1ccc(CCOc2ccc(CC3SC(OC)=NC3=O)cc2)nc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.67
CYP3A4 P08684 1/20 0.66
RXRA P19793 1/20 0.66
MPC2 O95563 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
MCHR1 Q99705 1/20 0.37
KMT2A Q03164 1/20 0.36
FFAR1 O14842 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL11925107 0.89 PPARG (0.64) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL12060194 0.84 PPARG (0.66) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL13283616 0.82 PPARG (0.69) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL4757129 0.81 PPARG (0.62) PPARGCYP3A4RXRAMPC2CYP2C8
Pioglitazone SCHEMBL21844 0.81 PPARG (1.00) PPARGCYP3A4RXRAMPC2CYP2C8
Pioglitazone SCHEMBL29593116 0.81 PPARG (1.00) PPARGCYP3A4RXRAMPC2CYP2C8
Pioglitazone SCHEMBL29364546 0.81 PPARG (1.00) PPARGCYP3A4RXRAMPC2CYP2C8
Pioglitazone SCHEMBL1162440 0.81 PPARG (1.00) PPARGCYP3A4RXRAMPC2CYP2C8
Pioglitazone SCHEMBL4121 0.81 PPARG (1.00) PPARGCYP3A4RXRAMPC2CYP2C8
Pioglitazone SCHEMBL503083 0.81 PPARG (1.00) PPARGCYP3A4RXRAMPC2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194732-A1 MULTI-API LOADING PRODRUGS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 US disclosed
EP-2655314-B1 MULTI-API LOADING PRODRUGS ALKERMES PHARMA IRELAND LTD (IE) 2018-02-07 EP disclosed
US-20160024011-A1 Multi-API Loading Prodrugs ALKERMES PHARMA IRELAND LTD (IE) 2016-01-28 US disclosed
US-20120202823-A1 Multi-API Loading Prodrugs ALKERMES, INC. 2012-08-09 US disclosed
WO-2012088441-A1 MULTI- API LOADING PRODRUGS ALKERMES, INC. (US) 2012-06-28 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 (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-20160024011-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 PPARG 2143/4885CYP3A4 69/4885RXRA 3793/4885
US-20120202823-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 PPARG 2143/4885CYP3A4 69/4885RXRA 3793/4885
US-20180194732-A1 MULTI-API LOADING PRODRUGS AADAC, PAICS, ABCG2 PPARG 2143/4885CYP3A4 69/4885RXRA 3793/4885

“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.