SCHEMBL6038704

SCHEMBL6038704

COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2OCC2CCCO2)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.73
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 5/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
PIK3CG P48736 2/20 0.48
MAPK1 P28482 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
SCHEMBL6039255 0.90 KDM4E (0.71) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL6038771 0.90 KDM4E (0.69) KDM4EALDH1A1LMNAMAPTHSD17B10
SCHEMBL6039113 0.89 KDM4E (0.58) KDM4EALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6038709 0.87 KDM4E (0.56) KDM4ENPC1ALDH1A1LMNAMAPT
SCHEMBL6038871 0.86 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL6038981 0.85 KDM4E (0.57) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL6038684 0.84 KDM4E (0.72) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL6038447 0.83 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL6038874 0.81 MEN1 (0.59) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL6039009 0.80 MEN1 (0.61) KDM4EALDH1A1LMNAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004010-A1 Ccr4 antagonist and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1541563-A1 CCR4 ANTAGONIST AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 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-20060004010-A1 Ccr4 antagonist and medical use thereof CCR4, CCR1, CCR9 KDM4E 3561/4885NPC1 1760/4885ALDH1A1 2902/4885

“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.