SCHEMBL8300173

SCHEMBL8300173

CC(C)COC(=O)N[C@H](C=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 6/20 0.39
CTSK P43235 5/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL10170123 0.82 LMNA (0.39) SMN1; SMN2TSHRCTSKCYP1A2CYP3A4
SCHEMBL12140942 0.79 CTSK (0.38) TSHRCTSKCYP3A4KDM4EMAPK1
SCHEMBL7297303 0.79 SMN1; SMN2 (0.46) SMN1; SMN2TSHRCTSKCYP1A2CYP3A4
SCHEMBL14392960 0.78 CTSK (0.35) CTSK
SCHEMBL12140944 0.78 CTSK (0.35) CTSK
SCHEMBL7945239 0.77 CTSK (0.38) CTSKCA1CA2CA7
SCHEMBL8135670 0.77 CTSK (0.38) SMN1; SMN2TSHRCTSKCYP1A2CYP2C9
SCHEMBL8299162 0.76 HRH3 (0.36) CTSK
SCHEMBL8300165 0.76 SLC13A3 (0.36) TSHRCTSKCYP3A4LMNA
SCHEMBL8300175 0.75 CTSK (0.37) CTSKCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120269769-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120034187-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8067438-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-20110177030-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-21 US disclosed
US-7939667-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-10 US disclosed
WO-2004103996-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 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-20120269769-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC SMN1; SMN2 4624/4885TSHR 2825/4885CTSK 122/4885
US-20120034187-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC SMN1; SMN2 4624/4885TSHR 2825/4885CTSK 122/4885
US-20110177030-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC SMN1; SMN2 4624/4885TSHR 2825/4885CTSK 122/4885

“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.