Sugi Predict

Sugi Predict / Compounds / SCHEMBL3277227

SCHEMBL3277227

SCHEMBL3277227

COc1ccc(C(C)=O)c(C(N)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.62
▸ HPGD P15428 4/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ KDM4E B2RXH2 3/20 0.50
▸ PARP1 P09874 2/20 0.50
▸ PARP10 Q53GL7 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ PARP2 Q9UGN5 1/20 0.50
▸ PARP4 Q9UKK3 1/20 0.50
▸ RAD52 P43351 1/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ GAA P10253 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL2835948 0.90 PARP1 (0.55) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL13094612 0.88 ALDH1A1 (0.71) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL7016460 0.85 SMN1; SMN2 (0.57) ALDH1A1KDM4EPARP1PARP10RAB9A
SCHEMBL4128750 0.83 ALDH1A1 (0.65) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL2310701 0.81 ALDH1A1 (0.62) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL1807116 0.81 PARP1 (0.53) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL3343162 0.79 PARP1 (0.52) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL312677 0.79 ALDH1A1 (0.65) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL1807278 0.79 PARP1 (0.52) ALDH1A1HPGDCYP3A4MAPK1KDM4E
SCHEMBL1034025 0.79 ALDH1A1 (0.68) ALDH1A1HPGDPARP10RAB9ANPC1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 — — US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 — — US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 — — US disclosed
US-20150005342-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-01 — — US disclosed
US-8889871-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 — — US disclosed
US-20140163231-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-06-12 — — US disclosed
US-8710229-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 — — US disclosed
US-20130267713-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-10-10 — — US disclosed
US-8507722-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 — — US disclosed
US-20120330019-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-27 — — US disclosed
US-6867185-B2 Inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-15 — — US disclosed
EP-1505963-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 — — EP disclosed
EP-1505945-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2005-02-16 — — EP disclosed
EP-1455809-A2 INHIBITORS OF HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2004-09-15 — — EP disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 — — US disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 — — WO disclosed
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 — — US disclosed
US-20040038872-A1 Inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2004-02-26 — — US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 — — WO disclosed
WO-2003053349-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 — — WO 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-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 ALDH1A1 769/4885HPGD 2641/4885CYP3A4 205/4885
US-20040038872-A1 Inhibitors of hepatitis C virus HAVCR2, LIPC, ZC3HAV1 ALDH1A1 576/4885HPGD 1330/4885CYP3A4 1124/4885
US-20150005342-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 ALDH1A1 769/4885HPGD 2641/4885CYP3A4 205/4885
US-20130267713-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 ALDH1A1 769/4885HPGD 2641/4885CYP3A4 205/4885
US-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 ALDH1A1 512/4885HPGD 2731/4885CYP3A4 261/4885
US-20140163231-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 ALDH1A1 769/4885HPGD 2641/4885CYP3A4 205/4885
US-20120330019-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 ALDH1A1 769/4885HPGD 2641/4885CYP3A4 205/4885
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors HAVCR2, ANPEP, ENPEP ALDH1A1 2672/4885HPGD 3503/4885CYP3A4 2730/4885

“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.