SCHEMBL38803

SCHEMBL38803

Cc1cccc(O)c1CC(N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 7/20 0.49
PTGS1 P23219 2/20 0.49
PKM P14618 2/20 0.49
ALPI P09923 1/20 0.49
XIAP P98170 1/20 0.49
KDM4E B2RXH2 3/20 0.46
HIF1A Q16665 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
USP2 O75604 3/20 0.46
ALOX15 P16050 2/20 0.46
RECQL P46063 2/20 0.46
HSD17B10 Q99714 2/20 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
HTR2A P28223 1/20 0.46
PTGS2 P35354 1/20 0.46
THRB P10828 2/20 0.45
THRA P10827 1/20 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
SCHEMBL38804 1.00 SLC7A5 (0.49) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL19667341 0.90 SLC7A5 (0.55) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL2703289 0.90 SLC7A5 (0.55) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL38535 0.90 SLC7A5 (0.55) SLC7A5PTGS1PKMALPIXIAP
Hydrochloric Acid SCHEMBL10477486 0.88 SLC7A5 (0.53) SLC7A5PTGS1PKMALPIXIAP
Hydrochloric Acid SCHEMBL10477485 0.88 SLC7A5 (0.53) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL5281460 0.88 SLC7A5 (0.57) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL20889265 0.82 SLC7A5 (0.47) SLC7A5PTGS1PKMALPIXIAP
Phenylalanine SCHEMBL15966897 0.82 SLC7A5 (0.71) SLC7A5PTGS1PKMALPIXIAP
SCHEMBL8767255 0.80 SLC7A5 (0.50) SLC7A5PTGS1PKMALPIXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104225574-B METHODS FOR PREVENTING MITOCHONDRIAL PERMEABILITY TRANSITION 科内尔研究基金会 2017-01-11 CN disclosed
CN-106163537-A Cuorin targeting peptides suppression amyloid beta oligomer toxicity 康奈尔大学 2016-11-23 CN disclosed
CN-106102760-A Aromatic-cationic peptides is for treating the purposes of the mitochondria dysfunction of cholesterol induction 康奈尔大学 2016-11-09 CN disclosed
CN-106039282-A AROMATIC-CATIONIC PEPTIDES AND USES OF SAME 康奈尔大学 2016-10-26 CN disclosed
CN-105879008-A METHODS FOR THE PREVENTION OR TREATMENT OF NO-REFLOW FOLLOWING ISCHEMIA/REPERFUSION INJURY 康德生物医疗技术公司 2016-08-24 CN disclosed
CN-105753939-A Aromatic-cationic Peptides And Uses Of Same 康德生物医疗技术公司 2016-07-13 CN disclosed
CN-105579054-A Methods of preventing or treating left ventricular remodeling STEALTH PEPTIDES INT INC 2016-05-11 CN disclosed
CN-105343869-A Methods and compositions for preventing or treating ophthalmic conditions STEALTH PEPTIDES INT INC 2016-02-24 CN disclosed
CN-105056206-A Methods and compositions for preventing or treating ophthalmic conditions STEALTH PEPTIDES INT INC 2015-11-18 CN disclosed
CN-104922653-A Method for treating or preventing skeletal muscle infirmities in mammalian subject UNIV FLORIDA 2015-09-23 CN 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
EP-1599216-A2 METHODS FOR PREVENTING MITOCHONDRIAL PERMEABILITY TRANSITION CORNELL RESEARCH FOUNDATION, INC. (US) 2005-11-30 EP 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-2004070054-A2 METHODS FOR PREVENTING MITOCHONDRIAL PERMEABILITY TRANSITION CORNELL RESEARCH FOUNDATION, INC. (US) 2004-08-19 WO 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

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 3381/4885PKM 894/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS SLC7A5 3230/4885PTGS1 2951/4885PKM 2444/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 SLC7A5 1918/4885PTGS1 3372/4885PKM 880/4885

“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.