SCHEMBL1054873

SCHEMBL1054873

[CH2]N1C(=O)SC(Cc2ccc(OCCc3ccc(CC)cn3)cc2)C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.66
CYP3A4 P08684 1/20 0.65
RXRA P19793 1/20 0.65
MPC2 O95563 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4A O75164 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 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
SCHEMBL826836 0.88 PPARG (0.70) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL18323953 0.88 PPARG (0.66) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL4181113 0.87 PPARG (0.65) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL12045525 0.86 PPARG (0.64) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL11925103 0.86 PPARG (0.64) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL12074888 0.86 PPARG (0.67) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL20697606 0.86 PPARG (0.67) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL12045501 0.85 PPARG (0.66) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL12045527 0.84 PPARG (0.62) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL12045493 0.84 PPARG (0.64) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445343-B1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES PHARMA IRELAND LTD (IE) 2021-08-04 EP disclosed
US-10723728-B2 Prodrugs of Nh-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2020-07-28 US disclosed
US-10428058-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2019-10-01 US disclosed
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-19 US disclosed
US-20190031648-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES PHARMA IRELAND LTD (IE) 2019-01-31 US disclosed
US-10040787-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-08-07 US disclosed
US-20170015659-A1 Prodrugs of NH-Acidic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-01-19 US disclosed
US-20150376143-A1 Prodrugs of NH-Acidic Compounds ALKERMES PHARMA IRELAND LTD (IE) 2015-12-31 US disclosed
US-9102618-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-11 US disclosed
US-20140221653-A1 Prodrugs of NH-Acidic Compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2014-08-07 US disclosed
EP-2445343-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS Alkermes, Inc. (US) 2012-05-02 EP disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 US disclosed
WO-2010151711-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. (US) 2010-12-29 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 (9 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-20150376143-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 PPARG 3557/4885CYP3A4 733/4885RXRA 4625/4885
US-20190031648-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 PPARG 3557/4885CYP3A4 733/4885RXRA 4625/4885
US-20170015659-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 PPARG 3557/4885CYP3A4 733/4885RXRA 4625/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 PPARG 3557/4885CYP3A4 733/4885RXRA 4625/4885
US-20190284181-A9 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 PPARG 3557/4885CYP3A4 733/4885RXRA 4625/4885
US-10428058-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 PPARG 3557/4885CYP3A4 733/4885RXRA 4625/4885
US-20140221653-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 PPARG 3557/4885CYP3A4 733/4885RXRA 4625/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 PPARG 3557/4885CYP3A4 733/4885RXRA 4625/4885
US-10723728-B2 Prodrugs of Nh-acidic compounds SI, NAAA, NIT2 PPARG 3557/4885CYP3A4 733/4885RXRA 4625/4885

“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.