SCHEMBL753950

SCHEMBL753950

COC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 3/20 0.41
ITGB7 P26010 3/20 0.41
MME P08473 1/20 0.37
CPB2 Q96IY4 4/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
CPB1 P15086 1/20 0.34
FPR2 P25090 1/20 0.33
ACE P12821 1/20 0.33
PTPN1 P18031 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RY14 Q15391 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL12568347 0.88 ROCK2 (0.33) ITGA4ITGB7MME
SCHEMBL3862102 0.87 ITGB3 (0.40) CPB2ITGB3ITGA2BITGB2ICAM1
SCHEMBL3862108 0.87 ITGB3 (0.40) CPB2ITGB3ITGA2BITGB2ICAM1
SCHEMBL6026424 0.87 ALOX15 (0.42) CPB2ITGB3ITGA2BITGB2ICAM1
SCHEMBL61371 0.87 ALOX15 (0.42) CPB2ITGB3ITGA2BITGB2ICAM1
SCHEMBL61370 0.87 ALOX15 (0.42) CPB2ITGB3ITGA2BITGB2ICAM1
SCHEMBL1073717 0.86 ITGB2 (0.36) MMECPB2ITGB2ICAM1ITGAL
SCHEMBL214302 0.86 ITGB3 (0.48) ITGA4ITGB7ITGB3ITGA2BACE
SCHEMBL1133305 0.86 ITGB3 (0.48) ITGA4ITGB7ITGB3ITGA2BACE
SCHEMBL214303 0.86 ITGB3 (0.48) ITGA4ITGB7ITGB3ITGA2BACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US 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
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-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
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
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20040009923-A1 Peptide analogs as irreversible interleukin-1beta protease inhibitors DOLLE ROLAND E (US) 2004-01-15 US disclosed
US-6576614-B1 Administering methyl ketones or closed hemiketal derivatives of aspartic acid VERTEX PHARMACEUTICALS INCORPORATED 2003-06-10 US disclosed
EP-0623592-B1 Peptide analogs as irreversible interleukin-1beta protease inhibitors VERTEX PHARMA (US) 2001-06-27 EP disclosed
US-5985838-A TREATING INFECTIOUS DISEASE, RESPIRATORY DISEASE, INFLAMMATORY CONDITIONS, IMMUNE-BASED DISEASE, AUTO-IMMUNE DISEASE, BONE DISEASE, AND TUMORS VERTEX PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
EP-0623592-A1 Peptide analogs as irreversible interleukin-1beta protease inhibitors STERLING WINTHROP INC. (US) 1994-11-09 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 (4 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 ITGA4 2396/4885ITGB7 1731/4885MME 1155/4885
US-20040009923-A1 Peptide analogs as irreversible interleukin-1beta protease inhibitors IL1B, IL1A, IL1RN ITGA4 2795/4885ITGB7 1612/4885MME 109/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ITGA4 2226/4885ITGB7 1672/4885MME 1382/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ITGA4 2226/4885ITGB7 1672/4885MME 1382/4885

“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.