SCHEMBL1915216

SCHEMBL1915216

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 2/20 0.45
CYP2C19 P33261 1/20 0.45
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1915123 1.00 SMN1; SMN2 (0.47) SMN1; SMN2POLBCYP2C19CTSSCTSK
SCHEMBL1915127 1.00 SMN1; SMN2 (0.47) SMN1; SMN2POLBCYP2C19CTSSCTSK
SCHEMBL3907728 0.86 KMT2A (0.50) SMN1; SMN2POLBCTSSCTSKALDH1A1
SCHEMBL6240853 0.86 KMT2A (0.49) CTSSCTSKALDH1A1L3MBTL1MEN1
SCHEMBL2575960 0.86 GAA (0.42) POLBCTSSCTSKALDH1A1L3MBTL1
SCHEMBL16115633 0.84 CTSA (0.40) CTSSCTSKALDH1A1GAAMEN1
SCHEMBL6243723 0.84 KCNA5 (0.42) SMN1; SMN2L3MBTL1
SCHEMBL6976981 0.84 FFAR1 (0.50) POLBL3MBTL1TDP1MEN1KMT2A
SCHEMBL6976976 0.84 FFAR1 (0.50) POLBL3MBTL1TDP1MEN1KMT2A
SCHEMBL24032701 0.83 L3MBTL1 (0.40) POLBALDH1A1L3MBTL1GAATDP1

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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-8415482-B2 Proline derivatives NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2013-04-09 US disclosed
CN-102245574-A Compounds, pharmaceutical compositions and methods for treating metabolic disorders EUROSCREEN SA 2011-11-16 CN disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
US-20110136799-A1 PROLINE DERIVATIVES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-06-09 US disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV SMN1; SMN2 2217/4885POLB 2660/4885CYP2C19 4261/4885
US-20110136799-A1 PROLINE DERIVATIVES PNISR, ARGLU1, PRR12 SMN1; SMN2 3364/4885POLB 1333/4885CYP2C19 1993/4885
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC SMN1; SMN2 3353/4885POLB 2275/4885CYP2C19 97/4885

“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.