SCHEMBL6317907

SCHEMBL6317907

CCOC(=O)CC(=O)Cc1cccs1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ESR2 Q92731 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CASP6 P55212 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 4/20 0.51
HPGD P15428 2/20 0.51
MAPT P10636 2/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL358221 0.87 POLB (0.60) POLBMEN1KMT2AESR2L3MBTL1
SCHEMBL11189770 0.85 ALDH1A1 (0.48) POLBMEN1KMT2AESR2L3MBTL1
Alcohol SCHEMBL29045225 0.84 POLB (0.57) POLBMEN1KMT2AESR2L3MBTL1
SCHEMBL27390967 0.83 RAB9A (0.57) POLBMEN1KMT2AESR2L3MBTL1
SCHEMBL28214977 0.81 MEN1 (0.54) POLBMEN1KMT2AESR2L3MBTL1
SCHEMBL2398774 0.81 ALDH1A1 (0.59) POLBMEN1KMT2AESR2L3MBTL1
SCHEMBL9779596 0.79 POLB (0.56) POLBMEN1KMT2AESR2L3MBTL1
SCHEMBL16458419 0.78 RAB9A (0.60) POLBMEN1KMT2AESR2L3MBTL1
SCHEMBL5045391 0.78 HPGD (0.53) POLBMEN1KMT2AL3MBTL1NPC1
SCHEMBL1504839 0.78 ALDH1A1 (0.55) POLBMEN1KMT2AESR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232340-B Method for preparing 3-amino-2-thiocyano-alpha, beta-unsaturated compound 兰州大学 2020-11-06 CN disclosed
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
US-6887820-B1 For producing optically active secondary alcohols, producing optically active compounds useful for various utilities such as intermediates for synthesizing pharmaceutical agents, liquid crystal materials and agents for optical resolution JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2005-05-03 US disclosed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP 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-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 POLB 3998/4885MEN1 2268/4885KMT2A 4210/4885

“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.