SCHEMBL10170123

SCHEMBL10170123

CCOC(=O)N[C@H](C=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.38
CTSK P43235 5/20 0.37
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
MMP8 P22894 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
ADRA1A P35348 1/20 0.33
RAB9A P51151 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
SCHEMBL12140942 0.86 CTSK (0.38) LMNACTSKMAPK1TSHRCYP3A4
SCHEMBL8300173 0.82 SMN1; SMN2 (0.44) LMNASMN1; SMN2HTTCTSKMAPK1
SCHEMBL12140944 0.81 CTSK (0.35) CTSK
SCHEMBL14392960 0.81 CTSK (0.35) CTSK
SCHEMBL7945239 0.80 CTSK (0.38) CTSK
SCHEMBL8299162 0.78 HRH3 (0.36) CTSK
SCHEMBL8300165 0.78 SLC13A3 (0.36) LMNACTSKTSHRCYP3A4NFKB1
SCHEMBL22749258 0.77 CTSK (0.54) CTSKATM
SCHEMBL806058 0.77 CTSK (0.54) CTSKATM
SCHEMBL12084418 0.76 HRH3 (0.43) LMNASMN1; SMN2HTTATMMAPK1

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-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-7585845-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-08 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 (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 LMNA 816/4885SMN1; SMN2 4624/4885HTT 4224/4885
US-20120034187-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC LMNA 816/4885SMN1; SMN2 4624/4885HTT 4224/4885
US-20110177030-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC LMNA 816/4885SMN1; SMN2 4624/4885HTT 4224/4885

“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.