SCHEMBL393557

SCHEMBL393557

Cc1oc(=O)oc1COC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
MGLL Q99685 2/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAOB P27338 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TDP2 O95551 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2235790 0.85 HTR2A (0.51) HTR2ABCL9CTNNB1GAASMN1; SMN2
SCHEMBL23868084 0.84 LMNA (0.41) HTR2AGAAMAPTALDH1A1KMT2A
SCHEMBL390309 0.82 HTR2A (0.48) HTR2ABCL9CTNNB1GAASMN1; SMN2
SCHEMBL27241497 0.81 GAA (0.48) HTR2ABCL9CTNNB1GAASMN1; SMN2
SCHEMBL5987375 0.81 HTR2A (0.47) HTR2ABCL9CTNNB1SMN1; SMN2POLB
SCHEMBL14034486 0.80 KMT2A (0.36) HTR2AKMT2A
SCHEMBL27900724 0.80 GAA (0.48) HTR2ABCL9CTNNB1GAASMN1; SMN2
SCHEMBL6396644 0.77 HTR2A (0.65) HTR2ABCL9CTNNB1GAASMN1; SMN2
SCHEMBL278663 0.77 BCL9 (0.62) HTR2ABCL9CTNNB1GAASMN1; SMN2
SCHEMBL9140032 0.76 HTR2A (0.57) HTR2ABCL9CTNNB1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865697-B2 Crystalline (6R,7R)-7-{2-(5-amino-[1,2,4] thiadiazol-3-yl)-2-[(Z)-trityloxyimino]-acetylamino}-3-[(R)-1′-tert-butoxycarbonyl-2-oxo-[1,3′]bipyrrolidinyl-(3E)-ylidenemethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester; its manufacture and use BASILEA PHARMACEUTICA AG (CH) 2014-10-21 US claimed
EP-2268648-B1 Crystalline (6R,7R)-7-{2-(5-Amino-[1,2,4]thiadiazol-3-yl)-2-[(Z)-trityloxyimino]-acetylamino}-3-[(R)-1'-tert- butoxycarbonyl-2-oxo-[1,3]bipyrrolidinyl-(3E)-ylidenemethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester; its manufacture and use BASILEA PHARMACEUTICA AG (CH) 2012-05-16 EP claimed
US-20110137026-A1 Crystalline (6r,7r)-7--3- [(R)-1'-Tert-Butoxycarbonyl-2-Oxo-[1,3']Bipyrrolidinyl-(3e)-Ylidenemethyl]-8-Oxo-5-Thia-1-Aza-Bicyclo[4.2.0] Oct-2-Ene-2-Carboxylic Acid Benzhydryl Ester; Its Manufacture and Use BASILEA PHARMACEUTICA AG (CH) 2011-06-09 US claimed
EP-2268648-A1 CRYSTALLINE (6R,7R)-7-{2-(5-AMINO-Ý1,2,4¨THIADIAZOL-3-YL)-2-Ý(Z)-TRITYLOXYIMINO¨-ACETYLAMINO}-3-Ý(R)-1'-TERT-BUTOXYCARBONYL-2-OXO-Ý1,3'¨BIPYRROLIDINYL-(3E)-YLIDENEMETHYL¨-8-OXO-5-THIA-1-AZA-BICYCLOÝ4.2.0¨OCT-2-ENE-2-CARBOXYLIC ACID BENZHYDRYL ESTER; ITS MANUFACTURE AND USE Basilea Pharmaceutica AG (CH) 2011-01-05 EP claimed
WO-2009127623-A1 CRYSTALLINE (6R,7R)-7-{2-(5-AMINO-[1,2,4]THIADIAZOL-3-YL)-2-[(Z)-TRITYLOXYIMINO]-ACETYLAMINO}-3-[(R)-1'-TERT-BUTOXYCARBONYL-2-OXO-[1,3']BIPYRROLIDINYL-(3E)-YLIDENEMETHYL]-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID BENZHYDRYL ESTER; ITS MANUFACTURE AND USE BASILEA PHARMACEUTICA AG (CH) 2009-10-22 WO claimed
EP-1242059-B1 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIV NORTH CAROLINA (US) 2007-03-21 EP claimed
US-6649652-B2 Hypotensive agents; hyperglycemic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-11-18 US claimed
US-20030092755-A1 Novel prodrugs for antimicrobial amidines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-15 US claimed
EP-1242059-A2 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2002-09-25 EP claimed
US-20020019437-A1 Novel prodrugs for antimicrobial amidines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-02-14 US claimed
WO-2001003685-A2 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-01-18 WO claimed
EP-4705289-A1 PRODRUGS OF XANOMELINE, PRODRUGS OF TROSPIUM AND METHODS OF USE THEREOF Terran Biosciences Inc. (US) 2026-03-11 EP disclosed
US-12534450-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2026-01-27 US disclosed
EP-4658663-A2 PRODRUGS OF 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck Sharp & Dohme LLC (US) 2025-12-10 EP disclosed
EP-4637736-A1 PRODRUGS OF DIMETHOXYPHENYLALKYLAMINE ACTIVATORS OF SEROTONIN RECEPTORS ATAI Therapeutics, Inc. (US) 2025-10-29 EP disclosed
WO-1999065920-A1 DERIVATIVES OF 3-(2-OXO-[1,3']BIPYRROLIDINYL-3-YLIDENEMETHYL)-CEPHEMS F. HOFFMANN-LA ROCHE AG (CH) 1999-12-23 WO disclosed
EP-0777479-A4 DIOXOLENYLMETHYL CARBAMATES PROMOIETIES FOR AMINE DRUGS MERCK & CO INC (US) 1997-10-29 EP disclosed
EP-0777479-A1 DIOXOLENYLMETHYL CARBAMATES PROMOIETIES FOR AMINE DRUGS Merck & Co., Inc. (a New Jersey corp.) (US) 1997-06-11 EP disclosed
WO-1996002253-A1 DIOXOLENYLMETHYL CARBAMATES PROMOIETIES FOR AMINE DRUGS MERCK & CO., INC. (US) 1996-02-01 WO disclosed
US-5466811-A Dioxolenylmethyl carbamates pro moieties for amine drugs MERCK & CO., INC. (US) 1995-11-14 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 (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-12534450-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 HTR2A 3588/4885BCL9 49/4885CTNNB1 770/4885
US-20110137026-A1 Crystalline (6r,7r)-7--3- [(R)-1'-Tert-Butoxycarbonyl-2-Oxo-[1,3']Bipyrrolidinyl-(3e)-Ylidenemethyl]-8-Oxo-5-Thia-1-Aza-Bicyclo[4.2.0] Oct-2-Ene-2-Carboxylic Acid Benzhydryl Ester; Its Manufacture and Use MED1, MED16, CYP2D6 HTR2A 1876/4885BCL9 727/4885CTNNB1 982/4885
US-20030092755-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 HTR2A 1877/4885BCL9 2630/4885CTNNB1 4432/4885
US-20020019437-A1 Novel prodrugs for antimicrobial amidines NR1H3, APEH, NR1H2 HTR2A 1877/4885BCL9 2630/4885CTNNB1 4432/4885

“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.