SCHEMBL3229333

SCHEMBL3229333

CCOC(=O)CCn1c(=O)sc2ccc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HK1 P19367 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KAT2B Q92831 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
CNR2 P34972 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
SCHEMBL3221281 0.85 TMEM97 (0.53) L3MBTL1HTTALDH1A1TP53POLB
SCHEMBL3224688 0.82 HTT (0.65) L3MBTL1HTTALDH1A1SMN1; SMN2TP53
SCHEMBL3214955 0.78 KAT2B (0.43) ALDH1A1SMN1; SMN2HK1HKDC1KDM4E
SCHEMBL18263581 0.77 KAT2B (0.46) L3MBTL1HTTTP53KAT2BMAPT
SCHEMBL4552265 0.77 CMA1 (0.49) L3MBTL1ALDH1A1POLBKAT2BLMNA
SCHEMBL18263490 0.75 KMO (0.48) L3MBTL1TP53MAPK1KAT2BMAPT
SCHEMBL8191089 0.74 GRIK1 (0.55) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL11737352 0.72 TDP1 (0.50) L3MBTL1HTTALDH1A1KDM4ETDP1
SCHEMBL8892411 0.72 ALDH1A1 (0.48) L3MBTL1HTTALDH1A1SMN1; SMN2HK1
SCHEMBL14262278 0.72 CXCR3 (0.45) L3MBTL1ALDH1A1SMN1; SMN2TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 US disclosed
EP-2125813-A2 COMPOUNDS Glaxo Group Limited (GB) 2009-12-02 EP disclosed
WO-2008116815-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-02 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 (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-20100056502-A1 COMPOUNDS NRDC, NACA, NAA50 L3MBTL1 1539/4885HTT 2154/4885ALDH1A1 4233/4885

“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.