SCHEMBL205118

SCHEMBL205118

CC[N+]([O-])(C(=O)C1COCCN1C(=O)OC(C)(C)C)c1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34
FKBP1A P62942 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ATM Q13315 2/20 0.33
MEN1 O00255 2/20 0.33
KLK7 P49862 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
NPC1 O15118 2/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP13 P45452 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL204403 0.85 KMT2A (0.46) KMT2AUCHL1USP30SMN1; SMN2MEN1
SCHEMBL203489 0.78 RORC (0.35) KMT2AUCHL1HDAC8NR1H2NR1H3
SCHEMBL14915003 0.78 HSD11B1 (0.34) KMT2AUCHL1HDAC8NR1H2NR1H3
SCHEMBL206566 0.77 AR (0.35) KMT2AHDAC8NR1H2NR1H3
SCHEMBL203533 0.75 KMT2A (0.42) KMT2AUSP30FPR3FPR2NPC1
SCHEMBL3448228 0.74 KMT2A (0.35) KMT2AUCHL1USP30SMN1; SMN2USP2
SCHEMBL205117 0.73 NPC1 (0.41) KMT2AUCHL1USP30SMN1; SMN2ATM
SCHEMBL2709738 0.73 NPC1 (0.41) KMT2AUCHL1USP30SMN1; SMN2ATM
SCHEMBL21682785 0.73 NR1H2 (0.50) KMT2AUCHL1SMN1; SMN2USP2NR1H2
SCHEMBL18039381 0.72 USP30 (0.46) KMT2AUCHL1USP30SMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
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
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP 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-8273341-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-09-25 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885UCHL1 2864/4885USP30 1320/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885UCHL1 2864/4885USP30 1320/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885UCHL1 2864/4885USP30 1320/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885UCHL1 2864/4885USP30 1320/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885UCHL1 2864/4885USP30 1320/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885UCHL1 2864/4885USP30 1320/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885UCHL1 2864/4885USP30 1320/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885UCHL1 2864/4885USP30 1320/4885

“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.