SCHEMBL1007042

SCHEMBL1007042

N[C@@H](Cc1ccccc1)C(=O)OC(=O)[C@@H](N)Cc1cnc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.61
SLC7A5 Q01650 1/20 0.61
LTA4H P09960 1/20 0.56
NLN Q9BYT8 1/20 0.51

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
SCHEMBL163444 0.89 CYP3A4 (0.71) CYP3A4SLC7A5
SCHEMBL1537285 0.89 CYP3A4 (0.71) CYP3A4SLC7A5
SCHEMBL28231837 0.89 CYP3A4 (0.57) CYP3A4SLC7A5LTA4HNLN
SCHEMBL3421663 0.89 LTA4H (0.52) CYP3A4SLC7A5LTA4H
SCHEMBL606714 0.88 CYP3A4 (0.56) CYP3A4SLC7A5LTA4HNLN
Phenylalanine SCHEMBL28074950 0.88 SLC7A5 (0.80) CYP3A4SLC7A5LTA4HNLN
Hydrochloric Acid SCHEMBL28331180 0.87 CYP3A4 (0.69) CYP3A4SLC7A5
SCHEMBL713213 0.87 LTA4H (0.62) CYP3A4SLC7A5LTA4HNLN
SCHEMBL13061496 0.87 LTA4H (0.62) CYP3A4SLC7A5LTA4HNLN
Hydrochloric Acid SCHEMBL27320108 0.86 LTA4H (0.61) CYP3A4SLC7A5LTA4H

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
EP-1888069-B1 ANTIPROLIFERATIVE DRUG EURAND PHARMACEUTICALS LTD (IE) 2009-12-02 EP claimed
US-20080200428-A1 Antiproliferative Drug APTALIS PHARMA LIMITED (IE) 2008-08-21 US claimed
CN-101227906-A Antiproliferative drug EURAND PHARMACEUTICALS LTD (IE) 2008-07-23 CN claimed
EP-1888069-A2 NEW ANTIPROLIFERATIVE DRUG Eurand Pharmaceuticals Ltd (IE) 2008-02-20 EP claimed
WO-2006122954-A2 ANTIPROLIFERATIVE CONJUGATES COMPRISING HYALURONIC ACID AND N-DERIVATIVES OF GLUTAMIC ACID EURAND PHARMACEUTICALS LIMITED (IE) 2006-11-23 WO claimed
US-20050244939-A1 Variant aldolase and processes for producing an optically active IHOG and an optically active monatin using the same AJINOMOTO CO., INC. (JP) 2005-11-03 US claimed
US-20030187049-A1 Compositions based on aminoacids, suitable for improving muscle performance PROFESSIONAL DIETETICS SRL (IT) 2003-10-02 US claimed
US-20020052486-A1 Nucleotide sequences which code for the gpmB gene DEGUSSA AG (DE) 2002-05-02 US claimed
EP-0324227-A1 A composition of matter for increasing intracellular atp levels and physical performance levels and for increasing the rate of wound repair Roncari, Raymond A. (US) 1989-07-19 EP claimed
CN-113424897-A Eucommia ulmoides leaf fermented feed and preparation method thereof 贵州大学 2021-09-24 CN disclosed
CN-111406862-A Herbal composition, beverage and preparation method thereof 叶兴良 2020-07-14 CN disclosed
CN-109567187-A A method of generation meal stick is made using tealeaves 宜昌清溪沟贡茶有限公司 2019-04-05 CN disclosed
CN-109527142-A A kind of slim tea and preparation method thereof 萧氏茶业集团有限公司 2019-03-29 CN disclosed
CN-106061496-A Cd44 binding peptides 交换成像技术股份有限公司 2016-10-26 CN disclosed
US-20060248602-A1 Bitter taste receptors DEUTSCHES INSTITUT FUR ERNAHRUNGSFORSCHUNG (DE) 2006-11-02 US disclosed
EP-1543122-A2 BITTER TASTE RECEPTORS Deutsches Institut für Ernährungsforschung (DE) 2005-06-22 EP disclosed
WO-2004029087-A2 BITTER TASTE RECEPTORS Deutsches Institut für Ernährungsforschung (DE) 2004-04-08 WO disclosed
WO-1996023421-A1 AMINO ACID COMPOSITIONS THE MINISTER OF AGRICULTURE FISHERIES & FOOD IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN & NORTHERN IRELAND (GB) 1996-08-08 WO disclosed
US-5141870-A Transforming plants with mutant fragment confers herbicide resistance E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-25 US disclosed
US-4818700-A Pichia pastoris argininosuccinate lyase gene and uses thereof PHILLIPS PETROLEUM COMPANY (US) 1989-04-04 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 (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-20080200428-A1 Antiproliferative Drug CD44, MKI67, HDGF CYP3A4 4102/4885SLC7A5 1176/4885LTA4H 672/4885
US-20060248602-A1 Bitter taste receptors TAS2R1, TAS2R30, TAS2R5 CYP3A4 3891/4885SLC7A5 858/4885LTA4H 1628/4885
US-20050244939-A1 Variant aldolase and processes for producing an optically active IHOG and an optically active monatin using the same ALDOA, MON2, HOGA1 CYP3A4 613/4885SLC7A5 2198/4885LTA4H 2287/4885

“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.