SCHEMBL4533690

SCHEMBL4533690

O=COC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.57
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 2/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 4/20 0.53
PKM P14618 1/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 3/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
CES2 O00748 1/20 0.50
SRD5A2 P31213 1/20 0.50
GSK3B P49841 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL4900644 0.84 CES1 (0.55) CES1CA1CA2TDP1ALDH1A1
SCHEMBL9317591 0.84 MAPK1 (0.56) CES1CA1CA2TDP1ALDH1A1
SCHEMBL7697986 0.83 ALOX5 (0.51) CES1TDP1KMT2APOLBMEN1
SCHEMBL28634355 0.82 CES1 (0.53) CES1CA1CA2TDP1ALDH1A1
SCHEMBL2402587 0.82 ALDH1A1 (0.46) CA1CA2TDP1ALDH1A1TSHR
SCHEMBL15751973 0.81 ALOX5 (0.54) CES1TDP1PTPN2PTPN1CES2
SCHEMBL13778136 0.81 MAPK1 (0.53) CES1CA1CA2TDP1ALDH1A1
SCHEMBL1436249 0.80 CES1 (0.65) CES1CA1CA2TDP1ALDH1A1
SCHEMBL254773 0.80 CES1 (0.65) CES1CA1CA2TDP1ALDH1A1
SCHEMBL13778239 0.80 TDP1 (0.53) CES1CA1CA2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223588-B1 PROCESS FOR THE PREPARATION OF BETA-LACTAM COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-12 EP claimed
US-4833145-A 4(3H)-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-05-23 US claimed
EP-1638538-B1 DOSAGE FORM THE UNIV OF HULL (GB) 2018-02-14 EP disclosed
US-9169258-B2 Doripenem intermediate compound, preparation process therefor and use thereof, and preparation process for doripenem SHENZHEN HAIBIN PHARMACEUTICAL CO., LTD. (CN) 2015-10-27 US disclosed
US-20150038700-A1 DORIPENEM INTERMEDIATE COMPOUND, PREPARATION PROCESS THEREFOR AND USE THEREOF, AND PREPARATION PROCESS FOR DORIPENEM SHENZHEN HAIBIN PHARMACEUTICAL CO., LTD. (CN) 2015-02-05 US disclosed
CN-1842325-B Dosage forms UNIV HULL 2012-02-29 CN disclosed
US-20090281111-A1 3-HYDROXY GEPIRONE FOR THE TREATMENT OF ATTENTION DEFICIT DISORDER AND SEXUAL DYSFUNCTION FABRE-KRAMER PHARMACEUTICALS, INC. (US) 2009-11-12 US disclosed
US-7608270-B2 Active ingredient bound to or encapsulated within exine coating of spores from plant, moss, fungus or algae; oral delivery with rapid release to blood stream UNIVERSITY OF HULL (GB) 2009-10-27 US disclosed
CN-1842325-A Dosage forms UNIV HULL (GB) 2006-10-04 CN disclosed
EP-1638538-A2 DOSAGE FORM The University of Hull (GB) 2006-03-29 EP disclosed
US-20050002963-A1 Dosage form SPOROMEX LIMITED (GB) 2005-01-06 US disclosed
EP-0547031-A1 N-protected-(S)-isoserine compounds SCHERING CORPORATION (US) 1993-06-16 EP disclosed
EP-0478707-A1 IMPROVED PROCESS FOR PREPARING ISEPAMICIN SCHERING CORPORATION (US) 1992-04-08 EP disclosed
EP-0405820-A2 Improved process for preparing isepamicin SCHERING CORPORATION (US) 1991-01-02 EP disclosed
WO-1990015810-A2 IMPROVED PROCESS FOR PREPARING ISEPAMICIN SCHERING CORPORATION (US) 1990-12-27 WO disclosed
US-4897489-A 2-/5-OXO-2-TETRAHYDROFURANY4-3-OXOISOXOL-IDINE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-01-30 US disclosed
US-4851422-A Antibiotic 2-(3-oxo-2-isoxazolidinyl)-5-oxo-2-tetrahydrofuran-carboxylates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 EP disclosed
EP-0191989-A1 Antibiotic isoxazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-08-27 EP disclosed
EP-0016900-B1 INTERMEDIATES IN THE PREPARATION OF CEPHALOSPORIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND USE CIBA-GEIGY AG (CH) 1983-11-16 EP 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 (2 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-20090281111-A1 3-HYDROXY GEPIRONE FOR THE TREATMENT OF ATTENTION DEFICIT DISORDER AND SEXUAL DYSFUNCTION HTR1D, HTR3A, HTR3E CES1 1460/4885CA1 4863/4885CA2 4865/4885
US-20150038700-A1 DORIPENEM INTERMEDIATE COMPOUND, PREPARATION PROCESS THEREFOR AND USE THEREOF, AND PREPARATION PROCESS FOR DORIPENEM HADHB, PDHB, FARSB CES1 715/4885CA1 3731/4885CA2 3871/4885

“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.