SCHEMBL28870537

SCHEMBL28870537

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.54
CTSL P07711 4/20 0.54
CTSK P43235 3/20 0.54
CTSS P25774 3/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ELANE P08246 2/20 0.49
PRTN3 P24158 1/20 0.49
ATM Q13315 1/20 0.49
CASP3 P42574 2/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 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
SCHEMBL28870538 1.00 CTSB (0.54) CTSBCTSLCTSKCTSSMEN1
SCHEMBL3736355 0.91 CTSB (0.57) CTSBCTSLCTSKCTSSMEN1
SCHEMBL30016306 0.89 CTSL (0.55) CTSBCTSLCTSKCTSSMEN1
SCHEMBL23748856 0.88 CTSB (0.53) CTSBCTSLCTSKCTSSMEN1
SCHEMBL23748855 0.88 CTSB (0.53) CTSBCTSLCTSKCTSSMEN1
SCHEMBL3727406 0.88 CTSB (0.54) CTSBCTSLCTSKCTSSMEN1
SCHEMBL23535950 0.88 CTSB (0.54) CTSBCTSLCTSKCTSSMEN1
SCHEMBL23567826 0.86 CTSB (0.53) CTSBCTSLCTSKCTSSMEN1
SCHEMBL28870539 0.86 CTSB (0.53) CTSBCTSLCTSKCTSSMEN1
SCHEMBL3725788 0.85 CTSB (0.56) CTSBCTSLCTSKCTSSMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-4077262-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XWPharma Ltd. (KY) 2022-10-26 EP disclosed
CN-115244028-A Synthetic method of 4-valyloxy butyric acid 凯瑞康宁生物工程有限公司 2022-10-25 CN disclosed
US-20220234994-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XWPharma Ltd. (KY) 2022-07-28 US disclosed
US-11279669-B2 Methods of synthesizing 4-valyloxybutyric acid XWPharma Ltd. (KY) 2022-03-22 US disclosed
US-20220055982-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XWPharma Ltd. (KY) 2022-02-24 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 (7 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 CTSB 2241/4885CTSL 4489/4885CTSK 4539/4885
US-12612357-B2 Methods of synthesizing 4-valyloxybutyric acid GABBR1, GABRB1, GABBR2 CTSB 327/4885CTSL 1157/4885CTSK 2875/4885
US-20230357130-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID GABBR1, GABBR2, GABRB3 CTSB 2241/4885CTSL 4489/4885CTSK 4539/4885
US-11279669-B2 Methods of synthesizing 4-valyloxybutyric acid GABBR1, GABBR2, GABRB3 CTSB 2241/4885CTSL 4489/4885CTSK 4539/4885
US-20220055982-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID GABBR1, GABBR2, GABRB3 CTSB 2241/4885CTSL 4489/4885CTSK 4539/4885
US-20220234994-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID GABBR1, GABBR2, GABRB3 CTSB 2241/4885CTSL 4489/4885CTSK 4539/4885
US-11746081-B2 Methods of synthesizing 4-valyloxybutyric acid GABBR1, GABBR2, GABRB3 CTSB 2241/4885CTSL 4489/4885CTSK 4539/4885

“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.