Sugi Predict

Sugi Predict / Compounds / SCHEMBL6380857

SCHEMBL6380857

SCHEMBL6380857

CC(C)(C)OC(=O)N1C[C@H](OCc2ccc3ccccc3c2)C[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 2/20 0.48
▸ MC4R P32245 4/20 0.45
▸ MC3R P41968 4/20 0.45
▸ MC1R Q01726 4/20 0.45
▸ MCL1 Q07820 4/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ SLC6A2 P23975 3/20 0.42
▸ SLC6A4 P31645 3/20 0.42
▸ SLC6A3 Q01959 3/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR4 Q13639 1/20 0.42
▸ UCHL1 P09936 1/20 0.42
▸ AGTR2 P50052 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41

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
SCHEMBL6380846 1.00 BDKRB2 (0.48) BDKRB2MC4RMC3RMC1RMCL1
SCHEMBL6380853 1.00 BDKRB2 (0.48) BDKRB2MC4RMC3RMC1RMCL1
SCHEMBL26604823 0.88 ABCB1 (0.52) BDKRB2MCL1ABCB1UCHL1AGTR2
SCHEMBL3179881 0.88 ABCB1 (0.52) BDKRB2MCL1ABCB1UCHL1AGTR2
SCHEMBL708630 0.88 ABCB1 (0.52) BDKRB2MCL1ABCB1UCHL1AGTR2
SCHEMBL376159 0.88 ABCB1 (0.52) BDKRB2MCL1ABCB1UCHL1AGTR2
SCHEMBL1448119 0.88 ABCB1 (0.52) BDKRB2MCL1ABCB1UCHL1AGTR2
SCHEMBL7287734 0.88 ABCB1 (0.52) BDKRB2MCL1ABCB1UCHL1AGTR2
SCHEMBL949983 0.88 ABCB1 (0.52) BDKRB2MCL1ABCB1UCHL1AGTR2
SCHEMBL708628 0.88 ABCB1 (0.52) BDKRB2MCL1ABCB1UCHL1AGTR2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112194606-A Synthesis process of N-BOC-cis-4-hydroxyproline methyl ester 南京诺希生物科技有限公司 2021-01-08 — — CN disclosed
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 — — US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 — — US disclosed
EP-2089385-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2016-01-06 — — EP disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 — — US disclosed
US-20150005342-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-01 — — US disclosed
US-8889871-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 — — US disclosed
US-20130267713-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-10-10 — — US disclosed
US-8507722-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 — — US disclosed
US-8343477-B2 Viricides; serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 — — US disclosed
WO-2008057871-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 — — WO disclosed
WO-2008057875-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 — — WO disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
WO-2007056120-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-18 — — WO disclosed
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 — — US disclosed
EP-1003775-B1 HEPATITIS C INHIBITOR PEPTIDES BOEHRINGER INGELHEIM CA LTD (CA) 2005-03-16 — — EP disclosed
US-6767991-B1 PEPTIDES AND ANALOGS THEREOF; VIRAL PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH PEPTIDES AND RIBAVIRIN BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-07-27 — — US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 — — 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 (7 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-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 BDKRB2 1030/4885MC4R 4836/4885MC3R 4411/4885
US-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP BDKRB2 1965/4885MC4R 3706/4885MC3R 2218/4885
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients TERT, VIP, YWHAZ BDKRB2 1487/4885MC4R 2681/4885MC3R 2939/4885
US-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS BDKRB2 2406/4885MC4R 3940/4885MC3R 1674/4885
US-20150005342-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 BDKRB2 1030/4885MC4R 4836/4885MC3R 4411/4885
US-20130267713-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 BDKRB2 1030/4885MC4R 4836/4885MC3R 4411/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP BDKRB2 1965/4885MC4R 3706/4885MC3R 2218/4885

“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.