SCHEMBL3360096

SCHEMBL3360096

C=Cc1ccc(CC(N)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.62
PTGS1 P23219 3/20 0.61
ALPI P09923 1/20 0.61
PKM P14618 1/20 0.61
XIAP P98170 1/20 0.61
HIF1A Q16665 5/20 0.53
ALOX15 P16050 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
HSD17B10 Q99714 2/20 0.53
USP2 O75604 1/20 0.53
EGFR P00533 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
HTR2A P28223 1/20 0.53
PTGS2 P35354 1/20 0.53
RECQL P46063 1/20 0.53
TPH1 P17752 1/20 0.53
GRB2 P62993 1/20 0.53

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
SCHEMBL3360097 1.00 SLC7A5 (0.62) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL15238580 0.85 SLC1A3 (0.67) SLC7A5
SCHEMBL15310772 0.85 SLC1A3 (0.67) SLC7A5
SCHEMBL2310526 0.84 SLC7A5 (0.83) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL3382866 0.84 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL3382864 0.84 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL5146874 0.83 LDHA (0.52) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL7398050 0.82 SLC7A5 (0.62) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL7398047 0.82 SLC7A5 (0.62) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL5097784 0.82 SLC7A5 (0.62) SLC7A5PTGS1ALPIPKMXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114709406-A Sulfur-rich copolymer material, lithium-sulfur battery positive electrode material, and preparation methods and applications thereof 中国电建集团成都勘测设计研究院有限公司 2022-07-05 CN disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
EP-1711617-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTICS COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-10-18 EP disclosed
WO-2005064008-A9 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2006-09-28 WO disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
US-5776902-A Boronophenyl analogs of phospholyrosines TRUSTEES OF TUFTS UNIVERSITY (US) 1998-07-07 US disclosed
WO-1995025118-A2 INHIBITORS OF SH2 DOMAIN INTERACTIONS TRUSTEES OF TUFTS UNIVERSITY (US) 1995-09-21 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-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP SLC7A5 2206/4885PTGS1 3381/4885ALPI 2031/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS SLC7A5 3230/4885PTGS1 2951/4885ALPI 1645/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 SLC7A5 1918/4885PTGS1 3372/4885ALPI 1902/4885

“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.