SCHEMBL6864073

SCHEMBL6864073

COC(=O)[C@@H]1C[C@@H](Oc2nc3ccccc3nc2Cl)CN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.48
UCHL1 P09936 1/20 0.43
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MCL1 Q07820 11/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN1 P18031 1/20 0.36
HTRA1 Q92743 1/20 0.35
BACE1 P56817 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
SCHEMBL16077808 0.92 P2RX3 (0.49) P2RX3UCHL1NR1H2NR1H3MCL1
SCHEMBL15984475 0.91 P2RX3 (0.45) P2RX3UCHL1NR1H2NR1H3MCL1
SCHEMBL15987117 0.90 P2RX3 (0.48) P2RX3UCHL1NR1H2NR1H3MCL1
SCHEMBL16077798 0.90 P2RX3 (0.45) P2RX3UCHL1NR1H2NR1H3PTPN1
SCHEMBL29991596 0.90 P2RX3 (0.48) P2RX3UCHL1NR1H2NR1H3MCL1
SCHEMBL14730353 0.90 P2RX3 (0.48) P2RX3UCHL1NR1H2NR1H3MCL1
SCHEMBL6864274 0.90 P2RX3 (0.48) P2RX3UCHL1NR1H2NR1H3MCL1
SCHEMBL19557118 0.87 P2RX3 (0.43) P2RX3UCHL1NR1H2NR1H3MCL1
SCHEMBL29991738 0.87 P2RX3 (0.48) P2RX3UCHL1NR1H2NR1H3MCL1
SCHEMBL8210282 0.86 P2RX3 (0.46) P2RX3UCHL1NR1H2NR1H3MCL1

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-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
EP-2459582-B1 HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2015-05-27 EP disclosed
US-8828930-B2 Hepatitis C virus NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-09 US disclosed
US-8828930-B2 Hepatitis C virus NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-09 US disclosed
US-20130178413-A1 HCV NS3 PROTEASE INHIBITORS MSD ITALIA SRL (IT) 2013-07-11 US disclosed
US-20120121624-A1 HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP (US) 2012-05-17 US disclosed
US-20120121624-A1 HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP (US) 2012-05-17 US disclosed
WO-2011014487-A1 HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-02-03 WO disclosed
US-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 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 (5 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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC P2RX3 3516/4885UCHL1 483/4885NR1H2 1166/4885
US-20130178413-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, CTSC, GTF3C3 P2RX3 3442/4885UCHL1 401/4885NR1H2 1209/4885
US-20150266897-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC P2RX3 3516/4885UCHL1 483/4885NR1H2 1166/4885
US-20120121624-A1 HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC P2RX3 3494/4885UCHL1 579/4885NR1H2 703/4885
US-20110002884-A1 THERAPEUTIC COMPOUNDS RRP1B, ZC3HAV1, RNASE1 P2RX3 3817/4885UCHL1 964/4885NR1H2 775/4885

“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.