Sugi Predict

Sugi Predict / Compounds / SCHEMBL756262

SCHEMBL756262

SCHEMBL756262

CN(C)C(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CTSG P08311 1/20 0.43
▸ NR4A1 P22736 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ NR4A3 Q92570 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ ACP3 P15309 1/20 0.42
▸ AOC3 Q16853 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
SCHEMBL3826728 0.86 ALDH1A1 (0.44) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL9762088 0.84 ALDH1A1 (0.41) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL9762081 0.84 ALDH1A1 (0.41) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL888804 0.83 ALOX5 (0.43) ALDH1A1CYP2C9CYP2C19CYP1A2ALOX5
SCHEMBL10140640 0.82 AOC3 (0.42) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL10120609 0.82 ALDH1A1 (0.41) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL16168811 0.81 AOC3 (0.44) ALDH1A1CYP2C9CYP2C19CYP1A2CTSG
SCHEMBL15641295 0.80 AKR1B1 (0.51) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL448107 0.80 AKR1B1 (0.51) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL8120419 0.80 AKR1B1 (0.51) ALDH1A1CYP2C9CYP2C19HPGDHTT

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 127 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 ALDH1A1 1107/4885CYP2C9 2691/4885CYP2C19 3320/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885CYP2C9 2585/4885CYP2C19 3369/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885CYP2C9 2585/4885CYP2C19 3369/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885CYP2C9 2585/4885CYP2C19 3369/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885CYP2C9 2585/4885CYP2C19 3369/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885CYP2C9 2585/4885CYP2C19 3369/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885CYP2C9 2585/4885CYP2C19 3369/4885
US-20080311075-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885CYP2C9 2585/4885CYP2C19 3369/4885

“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.