SCHEMBL754137

SCHEMBL754137

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCC(=O)c1ccc(-c2ccc(C(=O)COC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
UCHL1 P09936 3/20 0.47
KLK7 P49862 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL11910978 1.00 NPC1 (0.53) NPC1MEN1KMT2AUCHL1KLK7
SCHEMBL15168879 0.96 KLK7 (0.50) NPC1MEN1KMT2AUCHL1KLK7
SCHEMBL18213987 0.96 NPC1 (0.60) NPC1MEN1KMT2AUCHL1KLK7
SCHEMBL15168881 0.96 KLK7 (0.50) NPC1MEN1KMT2AUCHL1KLK7
SCHEMBL13291831 0.96 NPC1 (0.49) NPC1MEN1KMT2AUCHL1KLK7
SCHEMBL18209654 0.96 NPC1 (0.60) NPC1MEN1KMT2AUCHL1KLK7
SCHEMBL2379613 0.95 NPC1 (0.48) NPC1MEN1KMT2AUCHL1KLK7
SCHEMBL2379611 0.95 NPC1 (0.48) NPC1MEN1KMT2AUCHL1KLK7
SCHEMBL10144850 0.95 NPC1 (0.48) NPC1MEN1KMT2AUCHL1KLK7
SCHEMBL12105484 0.95 NPC1 (0.48) NPC1MEN1KMT2AUCHL1KLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11344858-B2 Micro-electrolysis reactor for ultra fast, oxidant free, C—C coupling reaction and synthesis of daclatasvir analogs thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2022-05-31 US disclosed
US-20200346182-A1 MICRO-ELECTROLYSIS REACTOR FOR ULTRA FAST, OXIDANT FREE, C-C COUPLING REACTION AND SYNTHESIS OF DACLATASVIR ANALOGS THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-11-05 US disclosed
EP-3321263-A2 COMPOUNDS FOR PREPARING HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Holdings Ireland (CH) 2018-05-16 EP disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 US disclosed
US-7728027-B2 Process for synthesizing compounds useful for treating hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 US disclosed
US-7728027-B2 Process for synthesizing compounds useful for treating hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20090041716-A1 CRYSTALLINE FORM OF METHYL ((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYLBUTANOYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)-4-BIPHENYLYL)-1H-IMIDAZOL-2-YL)-1-PYRROLIDINYL)CARBONYL)-2-METHYLPROPYL)CARBAMATE DIHYDROCHLORIDE SALT BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US disclosed
US-20090041716-A1 CRYSTALLINE FORM OF METHYL ((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYLBUTANOYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)-4-BIPHENYLYL)-1H-IMIDAZOL-2-YL)-1-PYRROLIDINYL)CARBONYL)-2-METHYLPROPYL)CARBAMATE DIHYDROCHLORIDE SALT BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US disclosed
US-20090043107-A1 Process for Synthesizing Compounds Useful for Treating Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US disclosed
US-20090043107-A1 Process for Synthesizing Compounds Useful for Treating Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 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 (9 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-11344858-B2 Micro-electrolysis reactor for ultra fast, oxidant free, C—C coupling reaction and synthesis of daclatasvir analogs thereof CYCS, COASY, CAT NPC1 4323/4885MEN1 3180/4885KMT2A 2718/4885
US-20090041716-A1 CRYSTALLINE FORM OF METHYL ((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYLBUTANOYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)-4-BIPHENYLYL)-1H-IMIDAZOL-2-YL)-1-PYRROLIDINYL)CARBONYL)-2-METHYLPROPYL)CARBAMATE DIHYDROCHLORIDE SALT CPS1, PYGL, HCCS NPC1 305/4885MEN1 1963/4885KMT2A 1845/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NPC1 65/4885MEN1 4867/4885KMT2A 4516/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS NPC1 65/4885MEN1 4867/4885KMT2A 4516/4885
US-20090043107-A1 Process for Synthesizing Compounds Useful for Treating Hepatitis C CPS1, HCCS, NSUN2 NPC1 1011/4885MEN1 2838/4885KMT2A 1477/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS NPC1 65/4885MEN1 4867/4885KMT2A 4516/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NPC1 65/4885MEN1 4867/4885KMT2A 4516/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NPC1 65/4885MEN1 4867/4885KMT2A 4516/4885
US-20200346182-A1 MICRO-ELECTROLYSIS REACTOR FOR ULTRA FAST, OXIDANT FREE, C-C COUPLING REACTION AND SYNTHESIS OF DACLATASVIR ANALOGS THEREOF CYCS, COASY, CAT NPC1 4307/4885MEN1 3300/4885KMT2A 2754/4885

“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.