SCHEMBL304330

SCHEMBL304330

COC(=O)CC(N)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.52
ALDH1A1 P00352 4/20 0.50
SLC15A1 P46059 2/20 0.50
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC7A5 Q01650 1/20 0.47
IDO1 P14902 1/20 0.46
LTA4H P09960 2/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A1 P43005 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL304329 1.00 ABCB1 (0.52) ABCB1ALDH1A1SLC15A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL4851546 0.98 ABCB1 (0.51) ABCB1ALDH1A1SLC15A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL7351021 0.98 ABCB1 (0.51) ABCB1ALDH1A1SLC15A1MAPK1L3MBTL1
SCHEMBL589202 0.89 SLC15A1 (0.61) ALDH1A1SLC15A1MAPK1L3MBTL1SLC7A5
SCHEMBL32681189 0.89 SLC15A1 (0.61) ALDH1A1SLC15A1MAPK1L3MBTL1SLC7A5
SCHEMBL589203 0.89 SLC15A1 (0.61) ALDH1A1SLC15A1MAPK1L3MBTL1SLC7A5
SCHEMBL1264374 0.89 SLC15A1 (0.61) ALDH1A1SLC15A1MAPK1L3MBTL1SLC7A5
SCHEMBL8249778 0.88 SLC15A1 (0.57) ABCB1ALDH1A1SLC15A1MAPK1L3MBTL1
SCHEMBL30916032 0.88 SLC15A1 (0.57) ABCB1ALDH1A1SLC15A1MAPK1L3MBTL1
SCHEMBL7470329 0.88 SLC15A1 (0.57) ABCB1ALDH1A1SLC15A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499127-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 EP disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
CN-104447707-B Hepatitis c virus inhibitors 百时美施贵宝公司 2017-04-12 CN disclosed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
US-20090202483-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080311075-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-18 US disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-7323456-B2 Carboxylic acid derivatives compounds and agents comprising the compounds as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-29 US disclosed
US-20040254370-A1 Carboxylic acid derivatives compounds and agents comprising the compounds as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 US disclosed
EP-1445256-A1 CARBOXYLIC ACID DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-08-11 EP 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 (10 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL ABCB1 244/4885ALDH1A1 1107/4885SLC15A1 3946/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ABCB1 200/4885ALDH1A1 1144/4885SLC15A1 3982/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ABCB1 200/4885ALDH1A1 1144/4885SLC15A1 3982/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ABCB1 200/4885ALDH1A1 1144/4885SLC15A1 3982/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ABCB1 200/4885ALDH1A1 1144/4885SLC15A1 3982/4885
US-20040254370-A1 Carboxylic acid derivatives compounds and agents comprising the compounds as active ingredient SREBF1, GPR119, PPARG ABCB1 923/4885ALDH1A1 355/4885SLC15A1 804/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ABCB1 200/4885ALDH1A1 1144/4885SLC15A1 3982/4885
US-20090202483-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ABCB1 200/4885ALDH1A1 1144/4885SLC15A1 3982/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ABCB1 200/4885ALDH1A1 1144/4885SLC15A1 3982/4885
US-20080311075-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ABCB1 200/4885ALDH1A1 1144/4885SLC15A1 3982/4885

“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.