SCHEMBL19232192

SCHEMBL19232192

CC(C)[C@H](NOC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.46
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
F2 P00734 1/20 0.44
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
MMP9 P14780 3/20 0.43
MMP2 P08253 3/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MMP3 P08254 2/20 0.42
MMP13 P45452 2/20 0.42

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
SCHEMBL25582979 0.82 TSHR (0.53) TSHRALDH1A1KMT2APOLBMAPT
SCHEMBL3496640 0.82 ALDH1A1 (0.68) TSHRALDH1A1KMT2APOLBMAPT
SCHEMBL25650882 0.78 ALDH1A1 (0.44) TSHRALDH1A1KMT2APOLBMAPT
SCHEMBL26461278 0.77 TSHR (0.52) TSHRALDH1A1KMT2APOLBMAPT
SCHEMBL19232186 0.76 KMT2A (0.39) TSHRALDH1A1KMT2APOLBMAPT
SCHEMBL23522306 0.76 ALDH1A1 (0.51) TSHRALDH1A1KMT2APOLBMAPT
SCHEMBL20018349 0.76 TSHR (0.55) TSHRALDH1A1KMT2APOLBMAPT
SCHEMBL27727625 0.75 TSHR (0.59) TSHRALDH1A1KMT2APOLBMAPT
SCHEMBL25583054 0.75 TSHR (0.48) TSHRALDH1A1KMT2APOLBMAPT
SCHEMBL9843494 0.73 ALDH1A1 (0.50) TSHRALDH1A1KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030834-B2 Methods of synthesizing 4-valyloxybutyric acid XWPharma Ltd. (KY) 2024-07-09 US disclosed
WO-2024005461-A1 NOVEL LINKER COMPOUND AND LIGAND-DRUG CONJUGATE THEREFOR 주식회사 트리오어 2024-01-04 WO disclosed
WO-2024005460-A1 COMPOUND COMPRISING SELF-IMMOLATIVE GROUP AND LIGAND-DRUG CONJUGATE COMPRISING SAME 주식회사 트리오어 2024-01-04 WO disclosed
US-20230357130-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XWPharma Ltd. (KY) 2023-11-09 US disclosed
WO-2023196307-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2023-10-12 WO disclosed
US-11746081-B2 Methods of synthesizing 4-valyloxybutyric acid XWPharma Ltd. (KY) 2023-09-05 US disclosed
WO-2023081230-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC. (US) 2023-05-11 WO disclosed
WO-2021127461-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XW LABORATORIES LIMITED (CN) 2021-06-24 WO disclosed
WO-2017134548-A1 PROCESS FOR THE PREPARATION OF LEDIPASVIR AND INTERMEDIATES THEREOF LUPIN LIMITED (IN) 2017-08-10 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 (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-12030834-B2 Methods of synthesizing 4-valyloxybutyric acid GABBR1, GABBR2, GABRB3 TSHR 3405/4885ALDH1A1 2199/4885KMT2A 2039/4885
US-20230357130-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID GABBR1, GABBR2, GABRB3 TSHR 3405/4885ALDH1A1 2199/4885KMT2A 2039/4885
US-11746081-B2 Methods of synthesizing 4-valyloxybutyric acid GABBR1, GABBR2, GABRB3 TSHR 3405/4885ALDH1A1 2199/4885KMT2A 2039/4885

“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.