SCHEMBL8300168

SCHEMBL8300168

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
MAPK1 P28482 2/20 0.36
CA2 P00918 1/20 0.36
MMP8 P22894 1/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 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
SCHEMBL10137321 0.85 KDM4E (0.36) LMNASMN1; SMN2MAPK1CA2ALDH1A1
SCHEMBL8777225 0.85 LMNA (0.40) ATMLMNASMN1; SMN2HTTGAA
SCHEMBL9829512 0.84 ATM (0.38) ATMLMNASMN1; SMN2HTTGAA
SCHEMBL9829508 0.84 ATM (0.38) ATMLMNASMN1; SMN2HTTGAA
SCHEMBL7765983 0.83 LMNA (0.39) ATMLMNASMN1; SMN2HTTGAA
SCHEMBL7765993 0.83 ALOX15 (0.40) ATMLMNASMN1; SMN2HTTGAA
SCHEMBL12412303 0.83 MGAM (0.40) ATMLMNASMN1; SMN2HTTGAA
SCHEMBL1534984 0.82 EPHX1 (0.43) ATMSMN1; SMN2MAPK1ALDH1A1RAB9A
SCHEMBL697937 0.82 EPHX1 (0.43) ATMSMN1; SMN2MAPK1ALDH1A1RAB9A
SCHEMBL8234485 0.81 MMP3 (0.47) MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3087085-B1 SYNTHESIS OF A MACROCYCLIC HCV NS3 INHIBITING TRIPEPTIDE GILEAD SCIENCES INC (US) 2019-02-20 EP disclosed
US-20170210756-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. 2017-07-27 US disclosed
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
US-7939667-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-10 US disclosed
US-7585845-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-08 US disclosed
US-20070243166-A1 Hepatitis C Inhibitor Compounds LLINAS-BRUNET MONTSE 2007-10-18 US disclosed
US-20070243166-A1 Hepatitis C Inhibitor Compounds LLINAS-BRUNET MONTSE 2007-10-18 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 (5 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-20170210756-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND EIF2AK2, MAVS, SARS1 ATM 2874/4885LMNA 3646/4885SMN1; SMN2 2417/4885
US-20120269769-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC ATM 4362/4885LMNA 816/4885SMN1; SMN2 4624/4885
US-20070243166-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC ATM 4362/4885LMNA 816/4885SMN1; SMN2 4624/4885
US-20120034187-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC ATM 4362/4885LMNA 816/4885SMN1; SMN2 4624/4885
US-20110177030-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC ATM 4362/4885LMNA 816/4885SMN1; SMN2 4624/4885

“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.