SCHEMBL1647449

SCHEMBL1647449

CN1CCN(S(=O)(=O)c2ccc(OCc3ccccc3)c(C(=O)O)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
POLB P06746 4/20 0.55
APEX1 P27695 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FOLH1 Q04609 1/20 0.50
PTGDR Q13258 1/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL1647823 0.90 MEN1 (0.54) KMT2AMEN1POLBPTGDRMAPT
SCHEMBL1648022 0.89 POLB (0.65) KMT2AMEN1POLBFOLH1HSD17B10
SCHEMBL1647944 0.87 MAPT (0.64) KMT2AMEN1POLBAPEX1L3MBTL1
SCHEMBL4551788 0.86 POLB (0.60) KMT2AMEN1POLBAPEX1MAPT
Hydrochloric Acid SCHEMBL6196657 0.85 POLB (0.61) KMT2AMEN1POLBAPEX1MAPT
SCHEMBL1649410 0.83 POLB (0.47) KMT2AMEN1POLBCTDSP1TDP1
SCHEMBL1645604 0.82 APEX1 (0.72) KMT2AMEN1POLBAPEX1L3MBTL1
SCHEMBL6918047 0.81 LRRK2 (0.73) POLBCTDSP1TDP1MAPT
SCHEMBL1647434 0.81 KMT2A (0.63) KMT2AMEN1POLB
SCHEMBL3885337 0.80 FOLH1 (0.60) KMT2AMEN1POLBTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 EP disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
EP-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 EP disclosed
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 US disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 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-20120184553-A1 NOVEL COMPOUNDS LRRK2, PARK7, PINK1 KMT2A 2336/4885MEN1 4102/4885POLB 1889/4885

“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.