SCHEMBL2707477

SCHEMBL2707477

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)c1ccc(Br)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KLK7 P49862 1/20 0.47
EPHX2 P34913 1/20 0.42
NPC1 O15118 1/20 0.42
USP30 Q70CQ3 3/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
FKBP1A P62942 4/20 0.40
HRH2 P25021 1/20 0.39

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
SCHEMBL203393 1.00 UCHL1 (0.48) UCHL1MEN1KMT2AKLK7EPHX2
SCHEMBL7614447 0.94 UCHL1 (0.52) UCHL1MEN1KMT2AKLK7EPHX2
SCHEMBL749354 0.86 FKBP1A (0.42) KLK7NPC1ALDH1A1FKBP1A
SCHEMBL12566557 0.85 UCHL1 (0.43) UCHL1MEN1KMT2AKLK7EPHX2
SCHEMBL12565559 0.85 MEN1 (0.45) UCHL1MEN1KMT2AKLK7EPHX2
SCHEMBL18845588 0.82 MEN1 (0.53) UCHL1MEN1KMT2AKLK7EPHX2
SCHEMBL12205958 0.82 LMNA (0.48) UCHL1MEN1KMT2AKLK7EPHX2
SCHEMBL15848455 0.81 KLK7 (0.53) UCHL1MEN1KMT2AKLK7EPHX2
SCHEMBL15848456 0.81 KLK7 (0.53) UCHL1MEN1KMT2AKLK7EPHX2
SCHEMBL4955279 0.81 KLK7 (0.53) UCHL1MEN1KMT2AKLK7EPHX2

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 32 patents — showing the first 20. 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-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-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-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-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120195857-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-08-02 US disclosed
US-20120195857-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-08-02 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
WO-2012021591-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-16 WO disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 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
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 (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 UCHL1 2864/4885MEN1 4292/4885KMT2A 3803/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 UCHL1 2864/4885MEN1 4292/4885KMT2A 3803/4885
US-20120195857-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS UCHL1 405/4885MEN1 4867/4885KMT2A 4516/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 UCHL1 2864/4885MEN1 4292/4885KMT2A 3803/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 UCHL1 2864/4885MEN1 4292/4885KMT2A 3803/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 UCHL1 2864/4885MEN1 4292/4885KMT2A 3803/4885

“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.