Sugi Predict

Sugi Predict / Compounds / SCHEMBL1613286

SCHEMBL1613286

SCHEMBL1613286

Cc1ccc([N+](=O)[O-])c(C(=O)O)c1CBr

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ TSHR P16473 6/20 0.47
▸ CASP6 P55212 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.37

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
SCHEMBL4025422 0.88 L3MBTL1 (0.53) TDP1L3MBTL1TSHRCASP6CES2
SCHEMBL4868173 0.79 L3MBTL1 (0.38) TDP1L3MBTL1SMN1; SMN2MEN1MAPK1
SCHEMBL20298737 0.79 TDP1 (0.60) TDP1L3MBTL1TSHRCASP6CES2
SCHEMBL5200620 0.78 TSHR (0.48) TDP1L3MBTL1TSHRCES2CES1
SCHEMBL3824611 0.78 TDP1 (0.64) TDP1L3MBTL1TSHRCASP6CES2
SCHEMBL2257980 0.78 TDP1 (0.64) TDP1L3MBTL1TSHRCASP6CES2
SCHEMBL30527914 0.77 TDP1 (0.62) TDP1L3MBTL1TSHRCASP6CES2
SCHEMBL21177973 0.77 TDP1 (0.62) TDP1L3MBTL1TSHRCASP6CES2
SCHEMBL395027 0.77 TDP1 (0.62) TDP1L3MBTL1TSHRCASP6CES2
SCHEMBL7566838 0.76 TSHR (0.47) TDP1TSHRMAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739059-B2 Oxygen scavenging molecules, articles containing same, and methods of their use PLASTIPAK PACKAGING, INC. (US) 2023-08-29 — — US disclosed
US-20210403423-A1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2021-12-30 — — US disclosed
US-10906870-B2 Oxygen scavenging molecules, articles containing same, and methods of their use PLASTIPAK PACKAGING, INC. (US) 2021-02-02 — — US disclosed
US-20190315685-A1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE PLASTIPAK PACKAGING INC (US) 2019-10-17 — — US disclosed
US-10125096-B2 Oxygen scavenging molecules, articles containing same, and methods of their use PLASTIPAK PACKAGING, INC. (US) 2018-11-13 — — US disclosed
US-20170088332-A1 Oxygen Scavenging Molecules, Articles Containing Same, and Methods of Their Use CONSTAR INTERNATIONAL LLC 2017-03-30 — — US disclosed
US-9475630-B2 Oxygen scavenging molecules, articles containing same, and methods of their use PLASTIPAK PACKAGING, INC. (US) 2016-10-25 — — US disclosed
US-20140027339-A1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2014-01-30 — — US disclosed
EP-2152794-B1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE CONSTAR INTERNAT LLC (US) 2014-01-08 — — EP disclosed
US-8431721-B2 Oxygen scavenging molecules, articles containing same, and methods of their use CONSTAR INTERNATIONAL, INC. (US) 2013-04-30 — — US disclosed
WO-2008141185-A1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE CONSTAR INTERNATIONAL, INC. (US) 2008-11-20 — — WO disclosed
US-20080277622-A1 Oxygen Scavenging Molecules, Articles Containing Same, And Methods Of Their Use WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2008-11-13 — — US disclosed
WO-2007139464-A1 ISOINDOLE DERIVATIVES USEFUL FOR TREATING PAIN, GASTROINTESTINAL DISEASES AND CANCER ASTRAZENECA AB (SE) 2007-12-06 — — WO disclosed
US-20070105903-A1 Synthesis and anti-tumor activity of nitrogen substituted thalidomide analogs CELGENE CORPORATION 2007-05-10 — — US disclosed
US-7153867-B2 Use of nitrogen substituted thalidomide analogs for the treatment of macular degenerator CELGENE CORPORATION (US) 2006-12-26 — — US disclosed
EP-1423115-A4 SYNTHESIS AND ANTI-TUMOR ACTIVITY OF NITROGEN SUBSTITUTED THALIDOMIDE ANALOGS CHILDRENS MEDICAL CENTER (US) 2006-08-16 — — EP disclosed
US-20060148800-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 — — US disclosed
EP-1423115-A2 SYNTHESIS AND ANTI-TUMOR ACTIVITY OF NITROGEN SUBSTITUTED THALIDOMIDE ANALOGS The Children's Medical Center Corporation (US) 2004-06-02 — — EP disclosed
US-20030139451-A1 Synthesis and anti-tumor activity of nitrogen substituted thalidomide analogs CHILDREN'S MEDICAL CENTER CORPORATION, THE 2003-07-24 — — US disclosed
WO-2003014315-A2 SYNTHESIS AND ANTI-TUMOR ACTIVITY OF NITROGEN SUBSTITUTED THALIDOMIDE ANALOGS THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2003-02-20 — — 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 (10 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-20190315685-A1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE SQOR, SCO2, SOD1 TDP1 3514/4885L3MBTL1 4011/4885TSHR 3878/4885
US-20030139451-A1 Synthesis and anti-tumor activity of nitrogen substituted thalidomide analogs VEGFA, FLT4, FLT1 TDP1 2625/4885L3MBTL1 2607/4885TSHR 3561/4885
US-20080277622-A1 Oxygen Scavenging Molecules, Articles Containing Same, And Methods Of Their Use SCO2, SQOR, DUOX2 TDP1 3547/4885L3MBTL1 3774/4885TSHR 3882/4885
US-10906870-B2 Oxygen scavenging molecules, articles containing same, and methods of their use SQOR, SCO2, SOD1 TDP1 3514/4885L3MBTL1 4011/4885TSHR 3878/4885
US-10125096-B2 Oxygen scavenging molecules, articles containing same, and methods of their use SQOR, SCO2, DUOX2 TDP1 3464/4885L3MBTL1 4015/4885TSHR 3883/4885
US-11739059-B2 Oxygen scavenging molecules, articles containing same, and methods of their use SQOR, SCO2, DUOX2 TDP1 3464/4885L3MBTL1 4015/4885TSHR 3883/4885
US-20070105903-A1 Synthesis and anti-tumor activity of nitrogen substituted thalidomide analogs VEGFA, FLT4, FLT1 TDP1 2625/4885L3MBTL1 2607/4885TSHR 3561/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP TDP1 170/4885L3MBTL1 849/4885TSHR 1656/4885
US-20170088332-A1 Oxygen Scavenging Molecules, Articles Containing Same, and Methods of Their Use SQOR, SCO2, DUOX2 TDP1 3464/4885L3MBTL1 4015/4885TSHR 3883/4885
US-20210403423-A1 OXYGEN SCAVENGING MOLECULES, ARTICLES CONTAINING SAME, AND METHODS OF THEIR USE SQOR, SCO2, DUOX2 TDP1 3464/4885L3MBTL1 4015/4885TSHR 3883/4885

“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.