Sugi Predict

Sugi Predict / Compounds / SCHEMBL3740512

SCHEMBL3740512

SCHEMBL3740512

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCCCC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 2/20 0.52
▸ SYK P43405 1/20 0.47
▸ PPARA Q07869 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KLK7 P49862 1/20 0.44
▸ CMA1 P23946 1/20 0.44
▸ CTSS P25774 2/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ APP P05067 1/20 0.43
▸ CAPN1 P07384 1/20 0.43
▸ TLR2 O60603 1/20 0.43
▸ TLR1 Q15399 1/20 0.43

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
SCHEMBL28870542 1.00 KLK5 (0.52) KLK5SYKPPARAMAPTKLK7
SCHEMBL25235990 0.97 KLK5 (0.51) KLK5SYKPPARAMAPTKLK7
SCHEMBL25235992 0.97 KLK5 (0.51) KLK5SYKPPARAMAPTKLK7
SCHEMBL3736788 0.91 SYK (0.50) KLK5SYKMAPTCTSSCTSL
SCHEMBL28870540 0.91 SYK (0.50) KLK5SYKMAPTCTSSCTSL
SCHEMBL28870539 0.90 CTSB (0.53) CTSSCTSLCTSBCTSKCAPN1
SCHEMBL23567826 0.90 CTSB (0.53) CTSSCTSLCTSBCTSKCAPN1
SCHEMBL19813646 0.89 SYK (0.49) KLK5SYKPPARAMAPTKLK7
SCHEMBL19813647 0.89 SYK (0.49) KLK5SYKPPARAMAPTKLK7
SCHEMBL24131771 0.88 SYK (0.49) KLK5SYKMAPTCTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240351975-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XWPharma Ltd. (KY) 2024-10-24 — — US claimed
US-12612357-B2 Methods of synthesizing 4-valyloxybutyric acid XWPharma Ltd. (KY) 2026-04-28 — — US disclosed
US-20240351975-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XWPharma Ltd. (KY) 2024-10-24 — — US disclosed
EP-4077262-B1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XWPHARMA LTD (KY) 2024-07-24 — — EP disclosed
US-12030834-B2 Methods of synthesizing 4-valyloxybutyric acid XWPharma Ltd. (KY) 2024-07-09 — — US disclosed
US-20230357130-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XWPharma Ltd. (KY) 2023-11-09 — — US disclosed
US-20230357130-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XWPharma Ltd. (KY) 2023-11-09 — — US disclosed
US-11746081-B2 Methods of synthesizing 4-valyloxybutyric acid XWPharma Ltd. (KY) 2023-09-05 — — US disclosed
US-11746081-B2 Methods of synthesizing 4-valyloxybutyric acid XWPharma Ltd. (KY) 2023-09-05 — — US disclosed
EP-4077262-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XWPharma Ltd. (KY) 2022-10-26 — — EP disclosed
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine MEDIVIR AB (SE) 2006-06-08 — — US disclosed
US-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE MEDIVIR AB (SE) 2006-03-16 — — US disclosed
US-6974802-B2 Treatment of viral infections using prodrugs of 2′,3-dideoxy,3′-fluoroguanosine MEDIVIR AB (SE) 2005-12-13 — — US disclosed
US-20030186924-A1 Prodrugs MEDIVIR AB 2003-10-02 — — US disclosed
US-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 — — US disclosed
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors AB, Medivir (SE) 2002-09-12 — — US disclosed
EP-1150956-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2001-11-07 — — EP disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 — — EP disclosed
WO-2000047561-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2000-08-17 — — WO disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 — — 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 (9 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-20240351975-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID GABBR1, GABBR2, GABRB3 KLK5 3690/4885SYK 4220/4885PPARA 1061/4885
US-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE UNG, HAVCR2, EIF2AK2 KLK5 4182/4885SYK 3377/4885PPARA 2823/4885
US-12612357-B2 Methods of synthesizing 4-valyloxybutyric acid GABBR1, GABRB1, GABBR2 KLK5 4790/4885SYK 3872/4885PPARA 2005/4885
US-12030834-B2 Methods of synthesizing 4-valyloxybutyric acid GABBR1, GABBR2, GABRB3 KLK5 3690/4885SYK 4220/4885PPARA 1061/4885
US-20230357130-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID GABBR1, GABBR2, GABRB3 KLK5 3690/4885SYK 4220/4885PPARA 1061/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 KLK5 4092/4885SYK 444/4885PPARA 3825/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 KLK5 4182/4885SYK 3377/4885PPARA 2823/4885
US-11746081-B2 Methods of synthesizing 4-valyloxybutyric acid GABBR1, GABBR2, GABRB3 KLK5 3690/4885SYK 4220/4885PPARA 1061/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 KLK5 4871/4885SYK 4776/4885PPARA 2862/4885

“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.