Sugi Predict

Sugi Predict / Compounds / SCHEMBL753852

SCHEMBL753852

SCHEMBL753852

CN(C)C(C(=O)O)c1ccc(Cl)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.44
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34

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
SCHEMBL890206 0.87 ALDH1A1 (0.41) NAPRTAKR1C3AKR1C2SMN1; SMN2POLB
SCHEMBL13748210 0.85 NAPRT (0.40) NAPRTAKR1C3AKR1C2SMN1; SMN2POLB
SCHEMBL888840 0.84 SMN1; SMN2 (0.40) NAPRTAKR1C3AKR1C2SMN1; SMN2POLB
SCHEMBL10140569 0.83 POLB (0.38) NAPRTAKR1C3AKR1C2SMN1; SMN2POLB
SCHEMBL15370353 0.83 ALDH1A1 (0.38) NAPRTAKR1C3AKR1C2SMN1; SMN2POLB
SCHEMBL1747676 0.77 NAPRT (0.48) NAPRTAKR1C3AKR1C2SMN1; SMN2POLB
SCHEMBL31420077 0.77 NAPRT (0.48) NAPRTAKR1C3AKR1C2SMN1; SMN2POLB
SCHEMBL755751 0.77 ALDH1A1 (0.47) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL21435809 0.75 NAPRT (0.46) NAPRTAKR1C3AKR1C2SMN1; SMN2POLB
SCHEMBL13049949 0.74 NAPRT (0.48) NAPRTAKR1C3AKR1C2ALDH1A1KCNQ3

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 122 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
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 NAPRT 1506/4885AKR1C3 1616/4885AKR1C2 2445/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NAPRT 1542/4885AKR1C3 1685/4885AKR1C2 2529/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS NAPRT 1542/4885AKR1C3 1685/4885AKR1C2 2529/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS NAPRT 1542/4885AKR1C3 1685/4885AKR1C2 2529/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NAPRT 1542/4885AKR1C3 1685/4885AKR1C2 2529/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS NAPRT 1542/4885AKR1C3 1685/4885AKR1C2 2529/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NAPRT 1542/4885AKR1C3 1685/4885AKR1C2 2529/4885
US-20080311075-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NAPRT 1542/4885AKR1C3 1685/4885AKR1C2 2529/4885

“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.