SCHEMBL3370323

SCHEMBL3370323

COC(COc1ccc2c(O)cc(-c3csc(NC(C)C)n3)nc2c1Cl)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.42
ABCC1 P33527 1/20 0.34
ABCC2 Q92887 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
MEN1 O00255 5/20 0.31
KMT2A Q03164 5/20 0.31
MAPT P10636 3/20 0.31
PKM P14618 2/20 0.31
ALOX5 P09917 1/20 0.31
GAA P10253 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL11941931 0.93 TYR (0.42) TYRABCC1ABCC2ABCG2MEN1
SCHEMBL10221364 0.89 TYR (0.45) TYRABCC1ABCC2ABCG2MEN1
SCHEMBL8135119 0.88 TYR (0.43) TYRABCC1ABCC2ABCG2MEN1
SCHEMBL693184 0.87 TYR (0.47) TYRABCC1ABCC2ABCG2MEN1
SCHEMBL10221353 0.86 TYR (0.43) TYRABCC1ABCC2ABCG2MEN1
SCHEMBL11941749 0.86 TYR (0.43) TYRABCC1ABCC2ABCG2MEN1
SCHEMBL1954704 0.86 ACACB (0.32)
SCHEMBL10271485 0.85 TYR (0.42) TYRABCC1ABCC2ABCG2MEN1
SCHEMBL10083651 0.85
SCHEMBL8144694 0.84 TYR (0.41) TYRABCC1ABCC2ABCG2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709613-B2 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2020-08-12 EP disclosed
US-10456414-B2 Methods for treating HCV GILEAD PHARMASSET LLC (US) 2019-10-29 US disclosed
EP-2709613-B1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2017-11-29 EP disclosed
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 US disclosed
EP-2162431-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2017-06-07 EP disclosed
US-20170042961-A1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC 2017-02-16 US disclosed
US-20160354425-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2016-12-08 US disclosed
US-9452154-B2 Methods for treating HCV GILEAD SCIENCES, INC. (US) 2016-09-27 US disclosed
US-9393256-B2 Methods for treating HCV GILEAD PHARMASSET LLC (US) 2016-07-19 US disclosed
US-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 US disclosed
US-20110306541-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2011-12-15 US disclosed
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 US 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
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005676-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 WO 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 (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-20110306541-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC TYR 2425/4885ABCC1 831/4885ABCC2 1828/4885
US-20090257978-A1 Antiviral coumpounds MAVS, ZC3HAV1, EIF2AK2 TYR 3327/4885ABCC1 905/4885ABCC2 1226/4885
US-20160354425-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC TYR 2425/4885ABCC1 831/4885ABCC2 1828/4885
US-10456414-B2 Methods for treating HCV HAVCR2, HCCS, LIPC TYR 2425/4885ABCC1 831/4885ABCC2 1828/4885
US-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 TYR 4489/4885ABCC1 1980/4885ABCC2 2957/4885
US-20170189439-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC TYR 2425/4885ABCC1 831/4885ABCC2 1828/4885
US-20170042961-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC TYR 2425/4885ABCC1 831/4885ABCC2 1828/4885
US-20150080569-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 TYR 4489/4885ABCC1 1980/4885ABCC2 2957/4885

“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.