SCHEMBL19115153

SCHEMBL19115153

CCc1ccc(CCOc2ccc(CC3SC(=O)N(C(=O)C(C)C)C3=O)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.62
CYP3A4 P08684 1/20 0.61
RXRA P19793 1/20 0.61
MPC2 O95563 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
MCL1 Q07820 1/20 0.34
POLB P06746 1/20 0.34
FFAR1 O14842 1/20 0.34
PPARA Q07869 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL12045490 0.91 PPARG (0.58) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL12074888 0.91 PPARG (0.67) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL12045501 0.90 PPARG (0.66) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL12045504 0.89 PPARG (0.60) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL12045493 0.89 PPARG (0.64) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL12045508 0.88 PPARG (0.63) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL12045506 0.88 PPARG (0.63) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL12045510 0.88 PPARG (0.58) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL12045494 0.87 PPARG (0.62) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL19115182 0.87 PPARG (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196848-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives ALKERMES PHARMA IRELAND LTD (IE) 2017-07-13 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-20170196848-A1 Prodrugs of NH-Acidic Compounds: Ester, Carbonate, Carbamate and Phosphonate Derivatives PHPT1, SI, CA6 PPARG 3793/4885CYP3A4 765/4885RXRA 4782/4885

“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.