SCHEMBL3369219

SCHEMBL3369219

COC(=O)C(NC(=O)OCc1ccccc1)C1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.50
CTSS P25774 3/20 0.50
CTSK P43235 3/20 0.50
CYP1A2 P05177 4/20 0.49
ALDH1A1 P00352 5/20 0.48
CYP2C9 P11712 4/20 0.48
CYP2C19 P33261 4/20 0.48
CYP3A4 P08684 4/20 0.48
TSHR P16473 4/20 0.48
POLB P06746 1/20 0.48
CYP2D6 P10635 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL903622 1.00 CTSL (0.50) CTSLCTSSCTSKCYP1A2ALDH1A1
SCHEMBL18730895 0.90 CTSK (0.45) CTSLCTSSCTSKCYP1A2ALDH1A1
SCHEMBL3374501 0.90 CTSK (0.49) CTSLCTSSCTSKCYP1A2ALDH1A1
SCHEMBL1162837 0.90 CTSK (0.49) CTSLCTSSCTSKCYP1A2ALDH1A1
SCHEMBL13308110 0.89 ATM (0.51) CTSLCTSSCTSKCYP1A2ALDH1A1
SCHEMBL29618020 0.89 ATM (0.51) CTSLCTSSCTSKCYP1A2ALDH1A1
SCHEMBL29618021 0.89 ATM (0.51) CTSLCTSSCTSKCYP1A2ALDH1A1
SCHEMBL20825664 0.88 EPHX1 (0.56) CTSLCTSSCTSKCYP1A2ALDH1A1
SCHEMBL620790 0.87 CYP1A2 (0.52) CTSLCTSSCTSKCYP1A2ALDH1A1
SCHEMBL620642 0.87 CYP1A2 (0.52) CTSLCTSSCTSKCYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980920-B2 Antiviral compounds of three linked aryl moieties to treat diseases such as hepatitis C MERCK SHARP & DOHME CORP. (US) 2015-03-17 US disclosed
US-8980920-B2 Antiviral compounds of three linked aryl moieties to treat diseases such as hepatitis C MERCK SHARP & DOHME CORP. (US) 2015-03-17 US disclosed
EP-2435424-B1 ANTIVIRAL COMPOUNDS COMPOSED OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C MERCK SHARP & DOHME (US) 2015-01-21 EP disclosed
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-8772505-B2 Antiviral compounds composed of three aligned aryl moieties to treat diseases such as hepatitis C MERCK SHARP & DOHME CORP. (US) 2014-07-08 US disclosed
US-8772505-B2 Antiviral compounds composed of three aligned aryl moieties to treat diseases such as hepatitis C MERCK SHARP & DOHME CORP. (US) 2014-07-08 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-20130164258-A1 Antiviral Compounds Composed of Three Aligned Aryl Moieties to Treat Diseases such as Hepatitis C MERCK SHARP & DOHME LLC 2013-06-27 US disclosed
US-20130164258-A1 Antiviral Compounds Composed of Three Aligned Aryl Moieties to Treat Diseases such as Hepatitis C MERCK SHARP & DOHME LLC 2013-06-27 US disclosed
US-20120258078-A1 ANTIVIRAL COMPOUNDS OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C SCHERING CORPORATION (US) 2012-10-11 US disclosed
WO-2010138791-A1 ANTIVIRAL COMPOUNDS COMPOSED OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C SCHERING CORPORATION (US) 2010-12-02 WO disclosed
WO-2010138790-A1 ANTIVIRAL COMPOUNDS COMPOSED OF THREE ALIGNED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C SCHERING CORPORATION (US) 2010-12-02 WO disclosed
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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-20120258078-A1 ANTIVIRAL COMPOUNDS OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C HAVCR2, ZC3HAV1, EIF2AK2 CTSL 467/4885CTSS 783/4885CTSK 975/4885
US-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 CTSL 868/4885CTSS 925/4885CTSK 1314/4885
US-20130164258-A1 Antiviral Compounds Composed of Three Aligned Aryl Moieties to Treat Diseases such as Hepatitis C HAVCR2, ZC3HAV1, EIF2AK2 CTSL 732/4885CTSS 918/4885CTSK 1334/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CTSL 868/4885CTSS 925/4885CTSK 1314/4885

“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.