SCHEMBL444915

SCHEMBL444915

COC(=O)N[C@H](C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.41
RAB9A P51151 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TGFBR1 P36897 1/20 0.39
TYR P14679 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 2/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL194100 1.00 MME (0.41) MMERAB9AACECPA1ACE2
SCHEMBL194101 1.00 MME (0.41) MMERAB9AACECPA1ACE2
SCHEMBL7324309 0.91 MME (0.44) MMERAB9AACECPA1ACE2
Alanine SCHEMBL2176579 0.91 MME (0.36) MMERAB9AACECPA1ACE2
SCHEMBL7324302 0.91 MME (0.44) MMERAB9AACECPA1ACE2
SCHEMBL204822 0.87 SMN1; SMN2 (0.40) SMN1; SMN2TYRALDH1A1CA2CA1
SCHEMBL29613052 0.81 MME (0.41) MMEACECPA1ACE2SMN1; SMN2
Aspartic Acid SCHEMBL7173783 0.81 SLC7A5 (0.42)
SCHEMBL23766673 0.80 HTT (0.43) MMERAB9AACECPA1ACE2
SCHEMBL3507245 0.80 TGFBR1 (0.55) MMERAB9AACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome ELAN PHARMACEUTICALS, INC. 2008-07-03 US claimed
EP-1534693-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2005-06-01 EP claimed
WO-2004022523-A2 1, 3-DIAMINO-2-HYDROXYPROPANE PRODRUG DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2004-03-18 WO claimed
US-20210053981-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-02-25 US disclosed
EP-3431477-B1 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2020-10-14 EP disclosed
US-20200071337-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2020-03-05 US disclosed
US-20190276468-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2019-09-12 US disclosed
US-9868745-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-01-16 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170342085-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-11-30 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
EP-1878720-A1 Process for preparing chiral bicycloprolinates as intermediates for the preparation of peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-01-16 EP disclosed
EP-1876173-A1 Chiral intermediates for the preparation of peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-01-09 EP disclosed
EP-1876173-A1 Chiral intermediates for the preparation of peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-01-09 EP disclosed
US-7294642-B2 1,3-Diamino-2-hydroxypropane pro-drug derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-11-13 US disclosed
EP-1849797-A2 Peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2007-10-31 EP disclosed
EP-1849797-A2 Peptidomimetic protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2007-10-31 EP disclosed
US-20050197299-A1 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives VERTEX PHARMACEUTICALS INCORPORATED 2005-09-08 US disclosed
EP-1320540-A2 PEPTIDOMIMETIC PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-06-25 EP disclosed
WO-2002018369-A2 PEPTIDOMIMETIC PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-03-07 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 (8 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 MME 1155/4885RAB9A 2545/4885ACE 805/4885
US-20050197299-A1 Hepatitis C antiviral agents including telaprevir (VX 950); higher tolerance, reduced side effects; azaheterocyclic amido ketone derivatives CTRC, PEPD, CTSC MME 465/4885RAB9A 2009/4885ACE 18/4885
US-20170342085-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 MME 510/4885RAB9A 1380/4885ACE 133/4885
US-20200071337-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 MME 510/4885RAB9A 1380/4885ACE 133/4885
US-20190276468-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 MME 510/4885RAB9A 1380/4885ACE 133/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS MME 1382/4885RAB9A 2463/4885ACE 865/4885
US-20210053981-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 MME 510/4885RAB9A 1380/4885ACE 133/4885
US-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome BACE1, APP, BACE2 MME 28/4885RAB9A 539/4885ACE 48/4885

“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.