SCHEMBL9977219

SCHEMBL9977219

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@H](CCC=O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ACE P12821 1/20 0.37
AKT1 P31749 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
SLC7A5 Q01650 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL13624594 0.83 L3MBTL1 (0.41) ATMITGA4ITGB7OPRM1OPRD1
SCHEMBL13225608 0.79 NPSR1 (0.44) ITGA4ITGB7NPSR1CTSSCTSB
SCHEMBL2707951 0.79 NPSR1 (0.44) ITGA4ITGB7NPSR1CTSSCTSB
SCHEMBL1198461 0.79 NPSR1 (0.44) ITGA4ITGB7NPSR1CTSSCTSB
SCHEMBL9977221 0.78 ITGA4 (0.39) ATMITGA4ITGB7OPRM1OPRD1
SCHEMBL3198955 0.78 ATM (0.41) ATMITGA4ITGB7NPSR1CTSS
SCHEMBL13489760 0.77 ATM (0.40) ATMITGA4ITGB7OPRM1OPRD1
SCHEMBL3740329 0.75 ATM (0.43) ATMITGA4ITGB7OPRM1OPRD1
SCHEMBL9321962 0.75 ATM (0.45) ATMITGA4ITGB7NPSR1CTSS
SCHEMBL8392929 0.75 ATM (0.45) ATMITGA4ITGB7NPSR1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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 (7 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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ATM 4174/4885ITGA4 4630/4885ITGB7 4509/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ATM 4174/4885ITGA4 4630/4885ITGB7 4509/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ATM 4174/4885ITGA4 4630/4885ITGB7 4509/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ATM 4174/4885ITGA4 4630/4885ITGB7 4509/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ATM 4174/4885ITGA4 4630/4885ITGB7 4509/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ATM 4174/4885ITGA4 4630/4885ITGB7 4509/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ATM 4174/4885ITGA4 4630/4885ITGB7 4509/4885

“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.