SCHEMBL5270765

SCHEMBL5270765

CCOC(=O)C(=O)CC(=O)c1nccs1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
PKM P14618 4/20 0.56
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
PLA2G4A P47712 3/20 0.42
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CES1 P23141 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
NPC1 O15118 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38

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
SCHEMBL1062356 0.86 ALDH1A1 (0.50) ALDH1A1PKMMAPTPLA2G4ARAB9A
SCHEMBL1489443 0.84 ALDH1A1 (0.51) ALDH1A1PKMMAPTHTTLMNA
SCHEMBL3219037 0.81 ALDH1A1 (0.58) ALDH1A1PKMMAPTHTTLMNA
SCHEMBL7937493 0.78 ALDH1A1 (0.55) ALDH1A1PKMMAPTHTTLMNA
SCHEMBL837325 0.77 ALDH1A1 (0.55) ALDH1A1PKMMAPTHTTLMNA
SCHEMBL3065923 0.77 ALDH1A1 (0.47) ALDH1A1PKMMAPTHTTLMNA
SCHEMBL930138 0.76 ALDH1A1 (0.56) ALDH1A1PKMMAPTHTTLMNA
SCHEMBL4838476 0.76 ALDH1A1 (0.52) ALDH1A1PKMMAPTHTTLMNA
SCHEMBL4838482 0.76 ALDH1A1 (0.52) ALDH1A1PKMMAPTHTTLMNA
Hydrochloric Acid SCHEMBL14763613 0.76 ALDH1A1 (0.53) ALDH1A1PKMMAPTHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425754-A Aromatic heterobicyclic compounds and antiviral uses thereof 苏州爱科百发生物医药技术有限公司 2023-07-14 CN disclosed
WO-2023125845-A1 HETEROAROMATIC BICYCLIC COMPOUND AND ANTIVIRAL APPLICATION THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed
WO-2023125845-A1 HETEROAROMATIC BICYCLIC COMPOUND AND ANTIVIRAL APPLICATION THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
CN-101001852-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-07-18 CN disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
US-5470862-A Intravenous anesthetics OHMEDA PHARMACEUTICAL PRODUCTS DIVISION INC. (US) 1995-11-28 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 (1 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 ALDH1A1 111/4885PKM 1756/4885MAPT 4006/4885

“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.