SCHEMBL205331

SCHEMBL205331

CC(C)(C)OC(=O)N1CCCC1C(=O)NCc1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PKM P14618 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
USP30 Q70CQ3 1/20 0.52
F2 P00734 1/20 0.51
FPR3 P25089 1/20 0.49
FPR2 P25090 1/20 0.49
UCHL1 P09936 1/20 0.48
SCN5A Q14524 1/20 0.47
SCN3A Q9NY46 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL608156 1.00 ALDH1A1 (0.62) ALDH1A1NPC1SMN1; SMN2PKMCYP3A4
SCHEMBL14322166 0.92 ALDH1A1 (0.53) ALDH1A1NPC1SMN1; SMN2PKMCYP3A4
SCHEMBL14322164 0.92 ALDH1A1 (0.53) ALDH1A1NPC1SMN1; SMN2PKMCYP3A4
SCHEMBL22163586 0.90 ALDH1A1 (0.63) ALDH1A1NPC1SMN1; SMN2PKMCYP3A4
SCHEMBL28923360 0.89 ALDH1A1 (0.55) ALDH1A1NPC1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL13374829 0.89 ALDH1A1 (0.74) ALDH1A1NPC1SMN1; SMN2PKMCYP3A4
SCHEMBL22399147 0.89 ALDH1A1 (0.62) ALDH1A1NPC1SMN1; SMN2PKMCYP3A4
SCHEMBL6508896 0.89 ALDH1A1 (0.64) ALDH1A1NPC1SMN1; SMN2PKMCYP3A4
SCHEMBL4366597 0.89 ALDH1A1 (0.64) ALDH1A1NPC1SMN1; SMN2PKMCYP3A4
SCHEMBL5173012 0.89 ALDH1A1 (0.64) ALDH1A1NPC1SMN1; SMN2PKMCYP3A4

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 25 patents — showing the first 20. 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
CN-104211689-B Antiviral compounds 吉利德制药有限责任公司 2017-01-18 CN disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
CN-103977406-B Antiviral compound 吉利德制药有限责任公司 2016-10-19 CN 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-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
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
US-20120040977-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 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
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 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 (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 ALDH1A1 3957/4885NPC1 516/4885SMN1; SMN2 1564/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885NPC1 516/4885SMN1; SMN2 1564/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885NPC1 516/4885SMN1; SMN2 1564/4885
US-20120040977-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 ALDH1A1 3492/4885NPC1 122/4885SMN1; SMN2 4634/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885NPC1 516/4885SMN1; SMN2 1564/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885NPC1 516/4885SMN1; SMN2 1564/4885

“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.