SCHEMBL1378141

SCHEMBL1378141

C#C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@@H]1n1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
HPGD P15428 1/20 0.40
POLA1 P09884 1/20 0.40
ADORA2A P29274 5/20 0.37
ADORA3 P0DMS8 4/20 0.35
ADORA2B P29275 2/20 0.35
ADORA1 P30542 2/20 0.35
ADA P00813 1/20 0.35
ALOX15 P16050 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1378135 1.00 KDM4E (0.60) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL38653234 0.88 KDM4E (0.57) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL12149981 0.88 KDM4E (0.46) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL20977435 0.86 KDM4E (0.43) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL7251830 0.84 KDM4E (0.56) KDM4ETAS1R3TAS1R1HPGDPOLA1
SCHEMBL1374928 0.84 KDM4E (0.52) KDM4ETAS1R3TAS1R1ALDH1A1
SCHEMBL1374924 0.84 KDM4E (0.52) KDM4ETAS1R3TAS1R1ALDH1A1
SCHEMBL12758450 0.83 HPGD (0.46) KDM4EHPGDPOLA1ADORA2AADORA3
SCHEMBL17357693 0.83 HPGD (0.46) KDM4EHPGDPOLA1ADORA2AADORA3
SCHEMBL29138074 0.83 KDM4E (0.58) KDM4ETAS1R3TAS1R1HPGDPOLA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120566-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2019-05-08 EP disclosed
US-9249173-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, LLC (US) 2016-02-02 US disclosed
US-20140255339-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2014-09-11 US disclosed
US-20110286962-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. 2011-11-24 US disclosed
US-7902202-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. (US) 2011-03-08 US disclosed
EP-2120566-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
US-20090238790-A2 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections IDENIX PHARMACEUTICALS, INC. (US) 2009-09-24 US disclosed
WO-2008082601-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2008-07-10 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 (3 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-20090238790-A2 Compounds and Pharmaceutical Compositions for the Treatment of Viral Infections HAVCR2, PYGL, GYS2 KDM4E 4502/4885TAS1R3 4760/4885TAS1R1 4791/4885
US-20140255339-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, PYGL, GYS2 KDM4E 4502/4885TAS1R3 4760/4885TAS1R1 4791/4885
US-20110286962-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, PYGL, GYS2 KDM4E 4502/4885TAS1R3 4760/4885TAS1R1 4791/4885

“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.