Sugi Predict

Sugi Predict / Compounds / SCHEMBL345917

SCHEMBL345917

SCHEMBL345917

CCCCOC(=O)[C@@H](N)CCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 2/20 0.52
▸ S1PR1 P21453 2/20 0.49
▸ S1PR3 Q99500 2/20 0.49
▸ GRM8 O00222 1/20 0.48
▸ GRM6 O15303 1/20 0.48
▸ GRIN2D O15399 1/20 0.48
▸ GRIN3B O60391 1/20 0.48
▸ GSR P00390 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ GRIK1 P39086 1/20 0.48
▸ GRM5 P41594 1/20 0.48
▸ GRIA1 P42261 1/20 0.48
▸ GRIA2 P42262 1/20 0.48
▸ GRIA3 P42263 1/20 0.48
▸ SLC1A3 P43003 1/20 0.48
▸ SLC1A2 P43004 1/20 0.48
▸ SLC1A1 P43005 1/20 0.48
▸ GRIA4 P48058 1/20 0.48
▸ GRIN1 Q05586 1/20 0.48
▸ GRIN2A Q12879 1/20 0.48

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
SCHEMBL3981177 1.00 NOD1 (0.52) NOD1S1PR1S1PR3GRM8GRM6
SCHEMBL18030282 1.00 NOD1 (0.52) NOD1S1PR1S1PR3GRM8GRM6
Hydrochloric Acid SCHEMBL8725894 0.98 NOD1 (0.51) NOD1S1PR1S1PR3GRM8GRM6
Hydrochloric Acid SCHEMBL14719874 0.98 NOD1 (0.51) NOD1S1PR1S1PR3GRM8GRM6
SCHEMBL30559 0.95 NOD1 (0.58) NOD1S1PR1S1PR3GRM8GRM6
SCHEMBL16124530 0.95 NOD1 (0.58) NOD1S1PR1S1PR3GRM8GRM6
Hydrochloric Acid SCHEMBL23510799 0.93 NOD1 (0.56) NOD1S1PR1S1PR3GRM8GRM6
SCHEMBL5495191 0.93 NOD1 (0.56) NOD1S1PR1S1PR3GRM8GRM6
SCHEMBL7781960 0.93 NOD1 (0.60) NOD1S1PR1S1PR3ALDH1A1PPARG
SCHEMBL1220169 0.93 NOD1 (0.60) NOD1S1PR1S1PR3ALDH1A1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3936469-A Process for preparing N-carboxylic anhydrides of amino acids KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JA) 1976-02-03 — — US claimed
CN-120040520-A Process for producing surfactant 丰益国际有限公司 2025-05-27 — — CN disclosed
CN-119280225-A Application of butyl pyroglutamate in preparation of antihypertensive drugs 江西农业大学 2025-01-10 — — CN disclosed
EP-3966201-A1 THIOSEMICARBAZATES AND USES THEREOF The Feinstein Institutes for Medical Research (US) 2022-03-16 — — EP disclosed
CN-108218739-B Butyrylglutamic acid derivative, and composition and application thereof 广州英赛特生物技术有限公司 2020-05-01 — — CN disclosed
EP-2013619-B1 METHODS FOR USING HUMAN EMBRYONIC STEM CELLS TO EVALUATE TOXICITY OF PHARMACEUTICAL COMPOUNDS & OTHER CHEMICALS WISCONSIN ALUMNI RES FOUND (US) 2017-10-11 — — EP disclosed
WO-2017122722-A1 BIHETEROCYCLIC COMPOUND 大日本住友製薬株式会社 2017-07-20 — — WO disclosed
US-20170114341-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS BRADSHAW CURT W (US) 2017-04-27 — — US disclosed
US-20170065729-A1 PSMA-TARGETED NIR DYES AND THEIR USES On Target Laboratories, Inc. 2017-03-09 — — US disclosed
WO-2016029307-A1 STIMULI-SWITCHABLE MOIETIES, MONOMERS AND POLYMERS INCORPORATING STIMULI-SWITCHABLE MOIETIES, AND METHODS OF MAKING AND USING SAME THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2016-03-03 — — WO disclosed
US-9107931-B2 Class of cationic lipids for transporting active agents into cells OZ BIOSCIENCES (FR) 2015-08-18 — — US disclosed
US-20140255969-A1 REAGENTS AND METHODS FOR USING HUMAN EMBRYONIC STEM CELLS TO EVALUATE TOXICITY OF PHARMACEUTICAL COMPOUNDS AND OTHER CHEMICALS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-11 — — US disclosed
US-8703483-B2 Reagents and methods for using human embryonic stem cells to evaluate toxicity of pharmaceutical compounds and other chemicals WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-04-22 — — US disclosed
US-20120015865-A1 NOVEL CLASS OF CATIONIC LIPIDS FOR TRANSPORTING ACTIVE AGENTS INTO CELLS OZ BIOSCIENCES (FR) 2012-01-19 — — US disclosed
US-20070248947-A1 Reagents and Methods for Using Human Embryonic Stem Cells to Evaluate Toxicity of Pharmaceutical Compounds and Other Chemicals WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-10-25 — — US disclosed
EP-0572167-B1 Cosmetic composition UNILEVER PLC (GB) 1996-10-09 — — EP disclosed
EP-0572167-A1 Cosmestic composition UNILEVER PLC (GB) 1993-12-01 — — EP 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-20170065729-A1 PSMA-TARGETED NIR DYES AND THEIR USES KLK3, FOLH1, CD47 NOD1 4665/4885S1PR1 2377/4885S1PR3 2657/4885
US-20170114341-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS HNRNPC, RNASE1, NSUN3 NOD1 3176/4885S1PR1 2277/4885S1PR3 1471/4885
US-20120015865-A1 NOVEL CLASS OF CATIONIC LIPIDS FOR TRANSPORTING ACTIVE AGENTS INTO CELLS SLC7A1, SLC75A1, SLC47A2 NOD1 3592/4885S1PR1 516/4885S1PR3 385/4885

“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.