Sugi Predict

Sugi Predict / Compounds / SCHEMBL753967

SCHEMBL753967

SCHEMBL753967

CN(C)C(C(=O)O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KCNA5 P22460 2/20 0.48
▸ CFTR P13569 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ GOPC Q9HD26 1/20 0.47
▸ TBXAS1 P24557 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ APP P05067 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HCAR3 P49019 1/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ KCNN4 O15554 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL890184 0.86 POLB (0.46) SMN1; SMN2KCNA5CFTRSLC6A2SLC6A4
SCHEMBL5404433 0.85 TRPM8 (0.50) SMN1; SMN2KCNA5CFTRSLC6A2SLC6A4
SCHEMBL14853051 0.85 SMN1; SMN2 (0.43) SMN1; SMN2KCNA5CFTRSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2673895 0.83 TRPM8 (0.49) SMN1; SMN2KCNA5CFTRSLC6A2SLC6A4
SCHEMBL888851 0.83 SMN1; SMN2 (0.44) SMN1; SMN2KCNA5CFTRSLC6A2SLC6A4
SCHEMBL8907259 0.82 KCNA5 (0.44) SMN1; SMN2KCNA5ALDH1A1OPRM1OPRD1
SCHEMBL8916540 0.82 SMN1; SMN2 (0.47) SMN1; SMN2KCNA5TBXAS1ALDH1A1OPRM1
SCHEMBL6641302 0.80 MAPK1 (0.46) SMN1; SMN2KCNA5ALDH1A1OPRM1OPRD1
SCHEMBL222001 0.79 ALDH1A1 (0.51) ALDH1A1GAALMNATRPM8KDM4E
SCHEMBL10540988 0.79 ALDH1A1 (0.51) ALDH1A1GAALMNATRPM8KDM4E

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 112 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-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 — — EP 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
WO-2008144380-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-27 — — WO 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-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — 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 (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 SMN1; SMN2 4310/4885KCNA5 4804/4885CFTR 1104/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885KCNA5 4822/4885CFTR 890/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885KCNA5 4822/4885CFTR 890/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885KCNA5 4822/4885CFTR 890/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885KCNA5 4822/4885CFTR 890/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885KCNA5 4822/4885CFTR 890/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885KCNA5 4822/4885CFTR 890/4885
US-20080311075-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885KCNA5 4822/4885CFTR 890/4885

“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.