SCHEMBL16474396

SCHEMBL16474396

CCOC(=O)c1sc2c(ccc(=O)n2-c2ccc(O)cc2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 7/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
HTT P42858 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 3/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ESR1 P03372 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
ESR2 Q92731 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL16474388 0.89 ALDH1A1 (0.56) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL16474394 0.89 MAPT (0.54) ALDH1A1MAPTCYP1A2HTTKDM4E
SCHEMBL5652764 0.85 MAPT (0.45) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL16474390 0.81 ALDH1A1 (0.55) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1265770 0.80 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2958991 0.78 ALDH1A1 (0.39) ALDH1A1MAPTHTTKDM4ENPSR1
SCHEMBL16474389 0.78 ALDH1A1 (0.54) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1266825 0.78 MAPT (0.41) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1266318 0.78 ALDH1A1 (0.54) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2960195 0.78 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544161-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2020-01-28 US disclosed
US-20190321343-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2019-10-24 US disclosed
US-10376497-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2019-08-13 US disclosed
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2019-05-16 US disclosed
US-10233195-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2019-03-19 US disclosed
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 US disclosed
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 US disclosed
US-9675593-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2017-06-13 US disclosed
US-9675593-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2017-06-13 US disclosed
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 US disclosed
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 US disclosed
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2016-09-15 US disclosed
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2016-09-15 US disclosed
US-9359379-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2016-06-07 US disclosed
US-9359379-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2016-06-07 US disclosed
WO-2015153683-A1 ANTI-FIBROTIC PYRIDINONES INTERMUNE, INC. (US) 2015-10-08 WO disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 US disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 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 (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-20180064692-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 ALDH1A1 529/4885MAPT 4377/4885CYP1A2 3249/4885
US-10544161-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 ALDH1A1 529/4885MAPT 4377/4885CYP1A2 3249/4885
US-20190321343-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 ALDH1A1 529/4885MAPT 4377/4885CYP1A2 3249/4885
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ALDH1A1 529/4885MAPT 4377/4885CYP1A2 3249/4885
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ALDH1A1 529/4885MAPT 4377/4885CYP1A2 3249/4885
US-10233195-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 ALDH1A1 529/4885MAPT 4377/4885CYP1A2 3249/4885
US-10376497-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 ALDH1A1 529/4885MAPT 4377/4885CYP1A2 3249/4885
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ALDH1A1 529/4885MAPT 4377/4885CYP1A2 3249/4885
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ALDH1A1 529/4885MAPT 4377/4885CYP1A2 3249/4885

“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.