SCHEMBL731050

SCHEMBL731050

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 3/20 0.37
ABCC4 O15439 1/20 0.37
LPAR2 Q9HBW0 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
CYP3A4 P08684 3/20 0.36
USP2 O75604 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
HPGD P15428 1/20 0.35
EPHX2 P34913 2/20 0.35
PLA2G2C Q5R387 1/20 0.35
TSHR P16473 1/20 0.34
EPHX1 P07099 1/20 0.34
ACHE P22303 3/20 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
SCHEMBL2043708 1.00 ALDH1A1 (0.40) ALDH1A1LMNAMAPTABCC4LPAR2
SCHEMBL733660 1.00 ALDH1A1 (0.40) ALDH1A1LMNAMAPTABCC4LPAR2
SCHEMBL2042688 1.00 ALDH1A1 (0.40) ALDH1A1LMNAMAPTABCC4LPAR2
SCHEMBL731304 0.99 LMNA (0.37) ALDH1A1LMNAMAPTABCC4LPAR2
SCHEMBL1984791 0.99 LMNA (0.37) ALDH1A1LMNAMAPTABCC4LPAR2
SCHEMBL731552 0.94 ALDH1A1 (0.35) ALDH1A1LMNAMAPTABCC4CYP3A4
SCHEMBL1988212 0.94 ALDH1A1 (0.35) ALDH1A1LMNAMAPTABCC4CYP3A4
SCHEMBL731309 0.88 PDF (0.34) ALDH1A1PLA2G2C
SCHEMBL1983553 0.88 PDF (0.34) ALDH1A1PLA2G2C
SCHEMBL7768778 0.82 EPHX1 (0.53) SMN1; SMN2EPHX1ACHE

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086982-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
US-8962810-B2 Macrocyclic heterocyclic compound for inhibiting hepatitis C virus and preparation and use thereof AB Pharma Ltd. (CN) 2015-02-24 US disclosed
EP-2079479-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-26 EP disclosed
US-20140205567-A1 Macrocyclic Heterocyclic Compound for Inhibiting Hepatitis C Virus and Preparation and Use Thereof AB Pharma Ltd. (CN) 2014-07-24 US disclosed
EP-2331552-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-2331552-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
WO-2008057209-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
WO-2008051475-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
WO-2007016441-A1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 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 (4 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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC ALDH1A1 1199/4885LMNA 3730/4885MAPT 4330/4885
US-20100080770-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL ALDH1A1 623/4885LMNA 3735/4885MAPT 4108/4885
US-20140205567-A1 Macrocyclic Heterocyclic Compound for Inhibiting Hepatitis C Virus and Preparation and Use Thereof HAVCR2, ZC3HAV1, HCCS ALDH1A1 303/4885LMNA 2939/4885MAPT 4371/4885
US-20150266897-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC ALDH1A1 1199/4885LMNA 3730/4885MAPT 4330/4885

“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.