SCHEMBL5409494

SCHEMBL5409494

O=[N+]([O-])c1ccc(O[PH](=O)Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
LMNA P02545 2/20 0.54
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
HTT P42858 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CRHBP P24387 1/20 0.47
ATM Q13315 1/20 0.47
CRHR2 Q13324 1/20 0.47
TLR9 Q9NR96 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
HSPB1 P04792 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL357343 0.92 HSPB1 (0.52) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL28100898 0.86 POLB (0.60) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL28195682 0.84 ALDH1A1 (0.52) ALDH1A1LMNADRD2DRD4DRD3
SCHEMBL5712600 0.82 HPGD (0.45) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL27988874 0.82 ALDH1A1 (0.50) ALDH1A1LMNADRD2DRD4DRD3
SCHEMBL13805761 0.82 LTA4H (0.43) L3MBTL1CA1CA2CA9SRD5A2
SCHEMBL457863 0.80 HSPB1 (0.68) ALDH1A1LMNADRD2DRD4DRD3
SCHEMBL18476534 0.80 ALOX5 (0.47) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL23844032 0.80 ALDH1A1 (0.43) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL29790853 0.79 LTA4H (0.45) L3MBTL1TLR9CES2CES1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030903-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-11767337-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2023-09-26 US disclosed
US-20230295201-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2023-09-21 US disclosed
US-20210292348-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-09-23 US disclosed
US-20210284670-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-09-16 US disclosed
US-10717758-B2 D-amino acid compounds for liver disease IDENIX PHARMACEUTICALS LLC (US) 2020-07-21 US disclosed
US-20180162898-A1 4'-OR NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2018-06-14 US disclosed
EP-2609923-B1 PROCESS FOR THE CRYSTALLISATION OF (S)-ISOPROPYL 2-(((S)-(PERFLUOROPHENOXY)(PHENOXY)PHOSPHORYL)AMINO)PROPANOATE GILEAD PHARMASSET LLC (US) 2017-05-24 EP disclosed
WO-2017024255-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC (US) 2017-02-09 WO disclosed
EP-2480552-B1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2016-11-09 EP disclosed
US-20160002281-A1 D-AMINO ACID COMPOUNDS FOR LIVER DISEASE UNIVERSITE DE MONTPELLIER (FR) 2016-01-07 US disclosed
WO-2015095419-A1 4'-OR NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. (US) 2015-06-25 WO disclosed
US-20140140952-A1 D-Alanine Ester of Sp-Nucleoside Analog IDENIX PHARMACEUTICALS LLC 2014-05-22 US disclosed
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-12 US disclosed
WO-2011123668-A2 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES PHARMASSET, INC. (US) 2011-10-06 WO disclosed
WO-2011123645-A2 NUCLEOSIDE PHOSPHORAMIDATES PHARMASSET, INC. (US) 2011-10-06 WO disclosed
US-7291478-B1 Rapid screening and analysis of present and potential nerve agents and their degradation products THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2007-11-06 US disclosed
US-5962291-A MONOCLONAL ANTIBODY CAPABLE OF HYDROLYZING A SUBSTRATE; HAS TWO BINDING SITES: ONE FOR FREE METAL ION, ONE FOR SUBSTRATE THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 1999-10-05 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 (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-20230295201-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 ALDH1A1 1459/4885LMNA 3047/4885DRD2 2140/4885
US-20140140952-A1 D-Alanine Ester of Sp-Nucleoside Analog PNP, DNPEP, ANPEP ALDH1A1 753/4885LMNA 920/4885DRD2 2989/4885
US-10717758-B2 D-amino acid compounds for liver disease AADAT, BCAT1, BCAT2 ALDH1A1 727/4885LMNA 1857/4885DRD2 852/4885
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NSUN2, CDA ALDH1A1 1783/4885LMNA 3489/4885DRD2 2123/4885
US-12030903-B2 Antiviral compounds EIF2AK2, MAVS, DUT ALDH1A1 1761/4885LMNA 3657/4885DRD2 2875/4885
US-20210284670-A1 ANTIVIRAL COMPOUNDS MAVS, HAVCR2, ZC3HAV1 ALDH1A1 1459/4885LMNA 3047/4885DRD2 2140/4885
US-11767337-B2 Antiviral compounds MAVS, HAVCR2, ZC3HAV1 ALDH1A1 1459/4885LMNA 3047/4885DRD2 2140/4885
US-20210292348-A1 ANTIVIRAL COMPOUNDS EIF2AK2, MAVS, DUT ALDH1A1 1761/4885LMNA 3657/4885DRD2 2875/4885
US-20160002281-A1 D-AMINO ACID COMPOUNDS FOR LIVER DISEASE AADAT, BCAT1, BCAT2 ALDH1A1 727/4885LMNA 1857/4885DRD2 852/4885
US-20180162898-A1 4'-OR NUCLEOSIDES FOR THE TREATMENT OF HCV NSUN2, NSUN3, ZC3HAV1 ALDH1A1 483/4885LMNA 2887/4885DRD2 1788/4885

“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.