SCHEMBL4551676

SCHEMBL4551676

CC(C)(CO)C[C@H](N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.43
GRIK1 P39086 5/20 0.41
PTGS1 P23219 2/20 0.41
SLC7A11 Q9UPY5 1/20 0.41
SLC1A1 P43005 6/20 0.40
GSR P00390 2/20 0.40
BHMT Q93088 3/20 0.40
SLC1A2 P43004 6/20 0.39
SLC1A3 P43003 5/20 0.39
GRIK2 Q13002 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CYP1A2 P05177 1/20 0.38
GRM5 P41594 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38

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
SCHEMBL25660444 1.00 SLC7A5 (0.43) SLC7A5GRIK1PTGS1SLC7A11SLC1A1
SCHEMBL12189727 0.82 SLC1A2 (0.43) SLC7A5GRIK1PTGS1SLC7A11SLC1A1
SCHEMBL18762462 0.82 SLC1A2 (0.43) SLC7A5GRIK1PTGS1SLC7A11SLC1A1
SCHEMBL7376089 0.82 SLC1A2 (0.43) SLC7A5GRIK1PTGS1SLC7A11SLC1A1
SCHEMBL15344586 0.80 SLC7A5 (0.41) SLC7A5GRIK1PTGS1SLC7A11SLC1A1
SCHEMBL18762498 0.80 SLC7A5 (0.41) SLC7A5GRIK1PTGS1SLC7A11SLC1A1
SCHEMBL1979860 0.80 SLC7A5 (0.41) SLC7A5GRIK1PTGS1SLC7A11SLC1A1
SCHEMBL31207001 0.80 SLC7A5 (0.41) SLC7A5GRIK1PTGS1SLC7A11SLC1A1
SCHEMBL21664443 0.80 SLC7A5 (0.52) SLC7A5GRIK1PTGS1SLC7A11SLC1A1
SCHEMBL11971354 0.80 SLC7A5 (0.41) SLC7A5GRIK1PTGS1SLC7A11SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6521595-B1 Treating alopecia; maintaining, inducing, stimulating, accelerating, or revitalizing the germination of hair LG CHEMICAL, LTD. (KR) 2003-02-18 US claimed
WO-2024158815-A1 USE OF WS635 TO TREAT ALZHEIMER'S DISEASE THE GENERAL HOSPITAL CORPORATION (US) 2024-08-02 WO disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
CN-114230498-A Preparation method of beta- (dimethylamino) ethyl p-toluenesulfonic acid mercapto ester hydrochloride 湖北华世通生物医药科技有限公司 2022-03-25 CN disclosed
CN-105169369-B Treat and prevent the method and pharmaceutical composition of hepatitis C infection 中美华世通生物医药科技(武汉)有限公司 2019-10-18 CN disclosed
CN-108273065-A A kind of ophthalmic composition 药品配送方案有限公司 2018-07-13 CN disclosed
CN-105169369-A Methods and pharmaceutical compositions for the treatment and prevention of hepatitis C infection SCYNEXIS INC 2015-12-23 CN disclosed
CN-101316606-B Methods and pharmaceutical compositions for treating and preventing hepatitis C infection SCYNEXIS INC 2015-05-27 CN disclosed
CN-101773661-B 3-ether and 3-thioether substituted cyclosporin derivatives for treatment and prevention of hepatitis c infection SCYNEXIS INC 2013-09-25 CN disclosed
CN-101068829-B 3-ether and 3-thioether substituted cyclosporin derivatives for the treatment and prevention of hepatitis c virus infection SCYNEXIS INC 2012-05-30 CN disclosed
US-20090298751-A1 Arylalkyl and Heteroarylalkyl Derivaties of Cyclosporine a for the Treatment and Prevention of Viral Infection SCYNEXIS, INC. (US) 2009-12-03 US disclosed
CN-101316606-A Methods and pharmaceutical compositions for treating and preventing hepatitis C infection SCYNEXIS INC (US) 2008-12-03 CN disclosed
CN-101316859-A Arylalkyl and heteroarylalkyl derivatives of cyclosporin A for the treatment and prevention of viral infections SCYNEXIS INC (US) 2008-12-03 CN disclosed
EP-1802650-A4 3-ETHER AND 3-THIOETHER SUBSTITUTED CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF HEPATITIS C INFECTION SCYNEXIS INC (US) 2008-08-20 EP disclosed
EP-1931696-A1 ARYIiALKYL AND HETEROARYLALKYL DERIVATIVES OF CYCLOSPORINE A FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTION Scynexis, Inc. (US) 2008-06-18 EP disclosed
CN-101068829-A 3-ether and 3-thioether substituted cyclosporin derivatives for the treatment and prevention of hepatitis c virus infection SCYNEXIS INC (US) 2007-11-07 CN disclosed
EP-1802650-A2 3-ETHER AND 3-THIOETHER SUBSTITUTED CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF HEPATITIS C INFECTION Scynexis, Inc. (US) 2007-07-04 EP disclosed
WO-2007041631-A1 ARYIiALKYL AND HETEROARYLALKYL DERIVATIVES OF CYCLOSPORINE A FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTION SCYNEXIS, INC. (US) 2007-04-12 WO disclosed
WO-2006039668-A2 3-ETHER AND 3-THIOETHER SUBSTITUTED CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF HEPATITIS C INFECTION SCYNEXIS, INC (US) 2006-04-13 WO disclosed
US-6521595-B1 Treating alopecia; maintaining, inducing, stimulating, accelerating, or revitalizing the germination of hair LG CHEMICAL, LTD. (KR) 2003-02-18 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 (2 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-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP SLC7A5 75/4885GRIK1 2914/4885PTGS1 4864/4885
US-20090298751-A1 Arylalkyl and Heteroarylalkyl Derivaties of Cyclosporine a for the Treatment and Prevention of Viral Infection HAVCR2, CYP2B6, CYP1B1 SLC7A5 904/4885GRIK1 4857/4885PTGS1 3522/4885

“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.