SCHEMBL2603687

SCHEMBL2603687

CC(=O)[C@H](N)Cc1ccc(O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.71
ESR1 P03372 3/20 0.61
ESR2 Q92731 3/20 0.61
TAAR1 Q96RJ0 3/20 0.61
SLC6A2 P23975 1/20 0.61
HDAC8 Q9BY41 2/20 0.53
PTGS1 P23219 2/20 0.48
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
XIAP P98170 1/20 0.48
DPP4 P27487 1/20 0.48
CA2 P00918 1/20 0.47
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
EGFR P00533 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ALOX15 P16050 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL12285673 1.00 SLC7A5 (0.71) SLC7A5ESR1ESR2TAAR1SLC6A2
SCHEMBL8279093 1.00 SLC7A5 (0.71) SLC7A5ESR1ESR2TAAR1SLC6A2
SCHEMBL14618135 0.89 SLC7A5 (0.59) SLC7A5ESR1ESR2TAAR1SLC6A2
SCHEMBL17913929 0.86 SLC7A5 (0.59) SLC7A5ESR1ESR2TAAR1SLC6A2
Tyrosine SCHEMBL28297995 0.84 SLC7A5 (0.92) SLC7A5ESR1ESR2TAAR1SLC6A2
Tyrosine SCHEMBL28270669 0.84 SLC7A5 (0.92) SLC7A5ESR1ESR2TAAR1SLC6A2
Tyrosine SCHEMBL6374042 0.84 SLC7A5 (0.92) SLC7A5ESR1ESR2TAAR1SLC6A2
SCHEMBL18309081 0.84 SLC7A5 (0.67) SLC7A5ESR1ESR2TAAR1SLC6A2
Tyrosine SCHEMBL5222909 0.84 SLC7A5 (0.92) SLC7A5ESR1ESR2TAAR1SLC6A2
SCHEMBL358908 0.83 SLC7A5 (0.71) SLC7A5ESR1ESR2TAAR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023086557-A1 NUCLEOSIDES FOR THE TREATMENT OF DNA VIRUS INFECTIONS EMORY UNIVERSITY (US) 2023-05-19 WO disclosed
US-11331331-B2 N4-hydroxycytidine and derivatives and anti-viral uses related thereto EMORY UNIVERSITY (US) 2022-05-17 US disclosed
WO-2022035843-A1 TOPOISOMERASE INHIBITORS NANOMEDICINE INNOVATION CENTER, LLC (US) 2022-02-17 WO disclosed
US-20220016153-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-20 US disclosed
US-11197882-B2 2021-12-14 US disclosed
US-11147826-B2 2021-10-19 US disclosed
US-20210308168-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-10-07 US disclosed
WO-2021159044-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO EMORY UNIVERSITY (US) 2021-08-12 WO disclosed
WO-2021137913-A2 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2021-07-08 WO disclosed
US-20200276219-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-09-03 US disclosed
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-09-11 US disclosed
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-09-11 US disclosed
EP-1944300-A2 Prodrugs of aspartyl protease inhibitors Vertex Pharmaceuticals Incorporated (US) 2008-07-16 EP disclosed
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 US disclosed
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 US disclosed
EP-0933372-B1 Sulphonamide derivatives as prodrugs of aspartyl protease inhibitors VERTEX PHARMA (US) 2007-12-26 EP disclosed
WO-2007075901-A2 QUINOLIN- 4 - ONE DERIVATIVES AS MODULATORS OF ABC TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
WO-2007058989-A2 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-24 WO disclosed
US-4062835-A LUTEINIZING HORMONE RELEASE ANTAGONISTS PARKE, DAVIS & COMPANY (US) 1977-12-13 US disclosed
US-4043994-A New pentapeptides and methods for their production PARKE, DAVIS & COMPANY (US) 1977-08-23 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 (8 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-11331331-B2 N4-hydroxycytidine and derivatives and anti-viral uses related thereto ENTPD1, NME2, NME1 SLC7A5 1217/4885ESR1 1471/4885ESR2 2177/4885
US-20210308168-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO PNP, PRPF4, HPRT1 SLC7A5 1399/4885ESR1 2065/4885ESR2 1956/4885
US-11147826-B2 SNRPE, NME2, NME1 SLC7A5 2167/4885ESR1 742/4885ESR2 1307/4885
US-20220016153-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO ENTPD1, NME2, NME1 SLC7A5 1217/4885ESR1 1471/4885ESR2 2177/4885
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS KCNQ1, KCNQ2, KCNQ5 SLC7A5 818/4885ESR1 4783/4885ESR2 4413/4885
US-20200276219-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO ENTPD1, NME2, NME1 SLC7A5 1217/4885ESR1 1471/4885ESR2 2177/4885
US-11197882-B2 SNRPE, NME2, NME1 SLC7A5 2167/4885ESR1 742/4885ESR2 1307/4885
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels KCNQ1, KCNQ2, KCNQ5 SLC7A5 818/4885ESR1 4783/4885ESR2 4413/4885

“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.