SCHEMBL6806998

SCHEMBL6806998

COC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 3/20 0.62
▸ ICAM1 P05362 3/20 0.62
▸ ITGAL P20701 3/20 0.62
▸ CA1 P00915 3/20 0.55
▸ CA2 P00918 3/20 0.55
▸ SLC6A5 Q9Y345 1/20 0.55
▸ CYP3A4 P08684 2/20 0.54
▸ SLC7A5 Q01650 1/20 0.54
▸ SLC15A2 Q16348 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MME P08473 1/20 0.48
▸ ECE1 P42892 1/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ AGTR2 P50052 1/20 0.47
▸ GGT1 P19440 1/20 0.47
▸ CPB2 Q96IY4 1/20 0.47

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
SCHEMBL13187470 0.89 ITGB2 (0.49) ITGB2ICAM1ITGALCA1CA2
SCHEMBL1132649 0.87 ITGB2 (0.57) ITGB2ICAM1ITGALCA1CA2
SCHEMBL1133307 0.87 ITGB2 (0.57) ITGB2ICAM1ITGALCA1CA2
SCHEMBL14028689 0.87 ITGB2 (0.57) ITGB2ICAM1ITGALCA1CA2
Hydrochloric Acid SCHEMBL27702031 0.87 ITGB2 (0.60) ITGB2ICAM1ITGALCA1CA2
SCHEMBL12979930 0.86 ITGB2 (0.47) ITGB2ICAM1ITGALSLC6A5CYP3A4
SCHEMBL888751 0.86 ITGB2 (0.47) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL10122812 0.86 ITGB2 (0.47) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL7438987 0.86 ITGB2 (0.54) ITGB2ICAM1ITGALCA1CA2
SCHEMBL28684251 0.85 ITGB2 (0.56) ITGB2ICAM1ITGALCA1CA2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303007-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 — — US disclosed
US-20150322031-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 — — US disclosed
US-20150322048-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 — — US disclosed
US-20150197499-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-07-16 — — US disclosed
US-9006455-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-14 — — US disclosed
US-8822444-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 — — US disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 — — US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 — — US disclosed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 — — US disclosed
US-20140018389-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-01-16 — — US disclosed
US-20130115193-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-09 — — US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed
EP-2398794-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-01-16 — — EP disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 — — 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 (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-20040009923-A1 Peptide analogs as irreversible interleukin-1beta protease inhibitors IL1B, IL1A, IL1RN ITGB2 1401/4885ICAM1 151/4885ITGAL 1591/4885
US-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 ITGB2 4484/4885ICAM1 2984/4885ITGAL 4111/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 ITGB2 4484/4885ICAM1 2984/4885ITGAL 4111/4885
US-20140018389-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS ITGB2 3553/4885ICAM1 2369/4885ITGAL 3697/4885
US-20150322031-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ITGB2 2360/4885ICAM1 556/4885ITGAL 1876/4885
US-20150197499-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ITGB2 2360/4885ICAM1 556/4885ITGAL 1876/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ITGB2 2360/4885ICAM1 556/4885ITGAL 1876/4885
US-20150322048-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ITGB2 2360/4885ICAM1 556/4885ITGAL 1876/4885
US-20130115193-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ITGB2 2360/4885ICAM1 556/4885ITGAL 1876/4885

“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.

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