SCHEMBL8916370

SCHEMBL8916370

CCC(=O)[C@H](O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
MAPK1 P28482 1/20 0.58
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
HPGD P15428 1/20 0.52
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
NAAA Q02083 2/20 0.49
KDM4E B2RXH2 1/20 0.44
CYP2D6 P10635 1/20 0.43
POLB P06746 1/20 0.43
SRC P12931 1/20 0.43

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
SCHEMBL12824633 1.00 LMNA (0.58) LMNAMAPK1CES2CES1HPGD
SCHEMBL156143 1.00 LMNA (0.58) LMNAMAPK1CES2CES1HPGD
Methacrylic Acid SCHEMBL29006645 0.89 HPGD (0.56) LMNAMAPK1CES2CES1HPGD
SCHEMBL4559586 0.88 SMN1; SMN2 (0.52) LMNAMAPK1HPGDALDH1A1CYP2D6
SCHEMBL27604754 0.85 LMNA (0.53) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL2689215 0.81 LMNA (0.75) LMNAMAPK1CES2CES1HPGD
SCHEMBL5513880 0.81 ACHE (0.43) LMNACES2CES1ALDH1A1CYP1A2
SCHEMBL593911 0.80 NAAA (0.55) LMNAMAPK1CES2CES1HPGD
SCHEMBL5318746 0.80 LMNA (0.60) LMNAMAPK1CES2CES1HPGD
SCHEMBL18218763 0.80 LMNA (0.60) LMNAMAPK1CES2CES1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 EP disclosed
US-8383094-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-20130034520-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-07 US disclosed
US-20130004457-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-03 US disclosed
US-8329159-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 US disclosed
WO-2009138439-A1 1, 2 – ADDITION OF CARBONYL COMPOUNDS USING THE ENZYME YERE ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-11-19 WO disclosed
EP-2119790-A1 1,2-addition of carbonyl compounds employing the enzyme YerE Albert-Ludwigs-Universität Freiburg (DE) 2009-11-18 EP disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 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 (8 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-20130034520-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS LMNA 3159/4885MAPK1 4096/4885CES2 79/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS LMNA 3159/4885MAPK1 4096/4885CES2 79/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS LMNA 3159/4885MAPK1 4096/4885CES2 79/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS LMNA 3159/4885MAPK1 4096/4885CES2 79/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 LMNA 2096/4885MAPK1 3739/4885CES2 175/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 LMNA 2724/4885MAPK1 3988/4885CES2 380/4885
US-20130004457-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS LMNA 3159/4885MAPK1 4096/4885CES2 79/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS LMNA 3159/4885MAPK1 4096/4885CES2 79/4885

“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.