Sugi Predict

Sugi Predict / Compounds / SCHEMBL755795

SCHEMBL755795

SCHEMBL755795

COC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 1/20 0.52
▸ CASP1 P29466 5/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ CTSK P43235 3/20 0.49
▸ SLC15A1 P46059 2/20 0.49
▸ KYNU Q16719 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CTSS P25774 2/20 0.48
▸ CTSL P07711 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ KLK7 P49862 1/20 0.47
▸ KLK5 Q9Y337 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ PPARA Q07869 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
SCHEMBL25491977 0.91 MMP9 (0.52) MMP9CASP1ALDH1A1ALOX15CTSK
SCHEMBL2912589 0.91 CASP1 (0.60) CASP1ALDH1A1ALOX15CTSKCTSS
SCHEMBL7583002 0.91 CASP1 (0.60) CASP1ALDH1A1ALOX15CTSKCTSS
SCHEMBL2912586 0.91 CASP1 (0.60) CASP1ALDH1A1ALOX15CTSKCTSS
SCHEMBL15996601 0.90 ALDH1A1 (0.55) MMP9CASP1ALDH1A1ALOX15CTSK
SCHEMBL890103 0.90 ALDH1A1 (0.55) MMP9CASP1ALDH1A1ALOX15CTSK
SCHEMBL3012475 0.89 CASP1 (0.56) CASP1ALDH1A1ALOX15CTSKKYNU
SCHEMBL3012469 0.89 CASP1 (0.56) CASP1ALDH1A1ALOX15CTSKKYNU
SCHEMBL8116799 0.89 CASP1 (0.56) CASP1ALDH1A1ALOX15CTSKKYNU
SCHEMBL12232414 0.88 CASP1 (0.54) MMP9CASP1ALDH1A1ALOX15CTSK

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 149 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-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
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 — — EP disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 — — US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 — — US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 — — US 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-20080044380-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-6235929-B1 SELECTIVELY INHIBITING SERINE PROTEASES, SELECTIVELY INHIBITING CYSTEINE PROTEASES, GEORGIA TECH RESEARCH CORPORATION 2001-05-22 — — US disclosed
US-5763576-A Tetrapeptide α-ketoamides GEORGIA TECH RESEARCH CORP. (US) 1998-06-09 — — 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 (6 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 MMP9 3670/4885CASP1 3162/4885ALDH1A1 1107/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MMP9 3405/4885CASP1 3084/4885ALDH1A1 1144/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MMP9 3405/4885CASP1 3084/4885ALDH1A1 1144/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS MMP9 3405/4885CASP1 3084/4885ALDH1A1 1144/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MMP9 3405/4885CASP1 3084/4885ALDH1A1 1144/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MMP9 3405/4885CASP1 3084/4885ALDH1A1 1144/4885

“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.