SCHEMBL1128725

SCHEMBL1128725

O=C(OC1CC2CC2C1)ON1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL16575072 1.00 CCNE1 (0.36) CCNE1CDK2GSK3BNPC1RAB9A
SCHEMBL7875278 1.00 CCNE1 (0.36) CCNE1CDK2GSK3BNPC1RAB9A
SCHEMBL8129220 1.00 CCNE1 (0.36) CCNE1CDK2GSK3BNPC1RAB9A
SCHEMBL2624001 1.00 CCNE1 (0.36) CCNE1CDK2GSK3BNPC1RAB9A
SCHEMBL2353518 0.91 CCNE1 (0.36) CCNE1CDK2GSK3BNPC1RAB9A
SCHEMBL11942083 0.89 CCNE1 (0.32) CCNE1CDK2GSK3BNPC1RAB9A
SCHEMBL12757780 0.88 CCNE1 (0.33) CCNE1CDK2GSK3BNPC1RAB9A
SCHEMBL14731660 0.84 CCNE1 (0.36) CCNE1CDK2GSK3B
SCHEMBL12048372 0.84 CCNE1 (0.36) CCNE1CDK2GSK3B
SCHEMBL14864657 0.84 CCNE1 (0.36) CCNE1CDK2GSK3B

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 38 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-20150141353-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2015-05-21 US disclosed
EP-2282762-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP disclosed
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 WO disclosed
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
EP-2162431-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 WO disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 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
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

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-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 CCNE1 44/4885CDK2 29/4885GSK3B 1615/4885
US-20090257978-A1 Antiviral coumpounds MAVS, ZC3HAV1, EIF2AK2 CCNE1 605/4885CDK2 274/4885GSK3B 1683/4885
US-20160354425-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC CCNE1 4341/4885CDK2 3592/4885GSK3B 1408/4885
US-10456414-B2 Methods for treating HCV HAVCR2, HCCS, LIPC CCNE1 4341/4885CDK2 3592/4885GSK3B 1408/4885
US-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 CCNE1 864/4885CDK2 343/4885GSK3B 2041/4885
US-20170189439-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC CCNE1 4341/4885CDK2 3592/4885GSK3B 1408/4885
US-20150141353-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC CCNE1 4341/4885CDK2 3592/4885GSK3B 1408/4885
US-20170042961-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC CCNE1 4341/4885CDK2 3592/4885GSK3B 1408/4885

“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.