SCHEMBL9213899

SCHEMBL9213899

CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(Br)cc2)n1COCC[Si](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
USP30 Q70CQ3 1/20 0.40
ALDH1A1 P00352 6/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
TSHR P16473 6/20 0.37
LMNA P02545 5/20 0.37
MEN1 O00255 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
UCHL1 P09936 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 2/20 0.36
GLA P06280 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL2708771 1.00 KMT2A (0.43) KMT2AUSP30ALDH1A1FPR3FPR2
SCHEMBL9281762 0.96 ALDH1A1 (0.41) KMT2AALDH1A1TSHRLMNAMEN1
SCHEMBL16511896 0.90 KMT2A (0.38) KMT2AUSP30ALDH1A1TSHRLMNA
SCHEMBL690316 0.90 ALDH1A1 (0.39) KMT2AALDH1A1TSHRLMNAMEN1
SCHEMBL690647 0.88 ALDH1A1 (0.38) KMT2AALDH1A1TSHRLMNAMEN1
SCHEMBL690646 0.88 ALDH1A1 (0.38) KMT2AALDH1A1TSHRLMNAMEN1
SCHEMBL205382 0.87 ALDH1A1 (0.41) KMT2AUSP30ALDH1A1TSHRLMNA
SCHEMBL831054 0.87 ALDH1A1 (0.41) KMT2AUSP30ALDH1A1TSHRLMNA
SCHEMBL16802913 0.87 ALDH1A1 (0.34) KMT2AUSP30ALDH1A1TSHRLMNA
SCHEMBL15746346 0.87 ALDH1A1 (0.35) KMT2AALDH1A1TSHRLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9045463-B2 Phenyl ethynyl derivatives as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2015-06-02 US disclosed
US-9045463-B2 Phenyl ethynyl derivatives as hepatitis C virus inhibitors JANSSEN R&D IRELAND (IE) 2015-06-02 US disclosed
EP-2857394-A1 Antiviral compounds Gilead Pharmasset LLC (US) 2015-04-08 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-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 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-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-20120136027-A1 Phenyl Ethynyl Derivatives As Hepatitis C Virus Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2012-05-31 US disclosed
US-20120136027-A1 Phenyl Ethynyl Derivatives As Hepatitis C Virus Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2012-05-31 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 (6 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885USP30 1320/4885ALDH1A1 3957/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885USP30 1320/4885ALDH1A1 3957/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885USP30 1320/4885ALDH1A1 3957/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885USP30 1320/4885ALDH1A1 3957/4885
US-20120136027-A1 Phenyl Ethynyl Derivatives As Hepatitis C Virus Inhibitors HAVCR2, ZC3HAV1, EIF2AK2 KMT2A 3568/4885USP30 1692/4885ALDH1A1 783/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885USP30 1320/4885ALDH1A1 3957/4885

“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.