SCHEMBL6594172

SCHEMBL6594172

COc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.74
GAA P10253 4/20 0.61
ALDH1A1 P00352 4/20 0.60
MAPK1 P28482 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HTT P42858 2/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 1/20 0.53
MAOB P27338 1/20 0.52
KCNJ1 P48048 1/20 0.51
KCNH2 Q12809 1/20 0.51
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL5827968 0.93 HTR2A (0.80) HTR2AGAAALDH1A1MAPK1L3MBTL1
SCHEMBL7164084 0.89 HTR2A (0.64) HTR2AGAAALDH1A1MAPK1L3MBTL1
SCHEMBL4112112 0.89 HTR2A (0.74) HTR2AGAAALDH1A1MAPK1L3MBTL1
SCHEMBL12524469 0.89 HTR2A (0.74) HTR2AGAAALDH1A1MAPK1L3MBTL1
SCHEMBL14621621 0.89 HTR2A (0.74) HTR2AGAAALDH1A1MAPK1L3MBTL1
SCHEMBL30679539 0.88 HTR2A (0.62) HTR2AGAAALDH1A1MAPK1L3MBTL1
Water SCHEMBL10938437 0.88 HTR2A (0.73) HTR2AGAAALDH1A1MAPK1L3MBTL1
Water SCHEMBL10938430 0.88 HTR2A (0.73) HTR2AGAAALDH1A1MAPK1L3MBTL1
SCHEMBL14498824 0.87 HTR2A (0.57) HTR2AGAAALDH1A1MAPK1L3MBTL1
SCHEMBL4438090 0.87 GAA (0.65) HTR2AGAAALDH1A1MAPK1L3MBTL1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11208421-B2 2-carboxypenam compound or salt thereof, pharmaceutical composition containing novel 2-carboxypenam compound or salt thereof, and applications thereof FUJIFILM CORPORATION (JP) 2021-12-28 US disclosed
US-20200239495-A1 NOVEL 2-CARBOXYPENAM COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING NOVEL 2-CARBOXYPENAM COMPOUND OR SALT THEREOF, AND APPLICATIONS THEREOF FUJIFILM CORPORATION (JP) 2020-07-30 US disclosed
WO-2019070052-A1 NOVEL 2-CARBOXYPENAM COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAID COMPOUND OR SALT, AND APPLICATION THEREOF 富士フイルム株式会社 2019-04-11 WO disclosed
US-9511064-B2 Combination therapy for the treatment of cancer and immunosuppression BASILEA PHARMACEUTICA AG (CH) 2016-12-06 US disclosed
US-20150157622-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER AND IMMUNOSUPPRESSION BASILEA PHARMACEUTICA AG (CH) 2015-06-11 US disclosed
EP-2872505-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER AND IMMUNOSUPPRESSION Basilea Pharmaceutica AG (CH) 2015-05-20 EP disclosed
WO-2014009222-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER AND IMMUNOSUPPRESSION BASILEA PHARMACEUTICA AG (CH) 2014-01-16 WO disclosed
US-7183282-B2 Substituted heterocycle fused γ-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-27 US disclosed
US-20040220178-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-04 US disclosed
EP-1019378-B1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2004-09-29 EP disclosed
US-6541497-B1 Amino acid derivatives of benzoxazin-2-ylaminoalkoxyphenylalkyl compounds ELI LILLY AND COMPANY 2003-04-01 US disclosed
US-6353027-B1 ENANTIOMORPHIC AMINE DERIVATIVES FOR TREATMENT OF DIABETES ELI LILLY AND COMPANY 2002-03-05 US disclosed
EP-1019378-A4 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2001-09-26 EP disclosed
US-6194446-B1 NON-INSULIN DEPENDENT DIABETES ELI LILLY AND COMPANY 2001-02-27 US disclosed
EP-0925063-A4 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2000-12-27 EP disclosed
US-6121282-A 3-(CARBOXY, AMIDO, CYANO, OR HYDROXYAMINOCARBONYL)-6 OR 7-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 2000-09-19 US disclosed
EP-1019378-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
EP-0925063-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1999-06-30 EP disclosed
WO-1998000137-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed
WO-1998000403-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 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 (4 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-11208421-B2 2-carboxypenam compound or salt thereof, pharmaceutical composition containing novel 2-carboxypenam compound or salt thereof, and applications thereof CFTR, SLC11A2, SLC20A1 HTR2A 4575/4885GAA 1934/4885ALDH1A1 2623/4885
US-20200239495-A1 NOVEL 2-CARBOXYPENAM COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING NOVEL 2-CARBOXYPENAM COMPOUND OR SALT THEREOF, AND APPLICATIONS THEREOF CFTR, SLC11A2, SLC20A1 HTR2A 4660/4885GAA 2317/4885ALDH1A1 2797/4885
US-20040220178-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 HTR2A 30/4885GAA 3686/4885ALDH1A1 704/4885
US-20150157622-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER AND IMMUNOSUPPRESSION MAVS, NDUFAF1, TFAM HTR2A 2135/4885GAA 3846/4885ALDH1A1 463/4885

“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.