SCHEMBL2118530

SCHEMBL2118530

[CH2]c1ccc(OCC)c(OCC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
TUBB1 Q9H4B7 3/20 0.39
ALDH1A1 P00352 5/20 0.38
PDE4D Q08499 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36

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
SCHEMBL973269 0.90 ALDH1A1 (0.41) KDM4EMAPTGAATUBB1ALDH1A1
SCHEMBL9196941 0.81 ALDH1A1 (0.48) KDM4EMAPTGAATUBB1ALDH1A1
SCHEMBL10981497 0.81 ALDH1A1 (0.42) KDM4EMAPTGAAALDH1A1TSHR
SCHEMBL2116816 0.78 ALDH1A1 (0.46) KDM4EMAPTGAATUBB1ALDH1A1
SCHEMBL2120318 0.77 KDM4E (0.40) KDM4EMAPTGAATUBB1ALDH1A1
SCHEMBL796952 0.76 ALDH1A1 (0.45) KDM4EMAPTGAAALDH1A1TSHR
SCHEMBL7494250 0.75 KDM4E (0.42) KDM4EMAPTGAATUBB1ALDH1A1
SCHEMBL324648 0.74 CYP1A1 (0.40) KDM4EMAPTALDH1A1KMT2AHPGD
SCHEMBL10980213 0.73 SMN1; SMN2 (0.52) KDM4EMAPTALDH1A1TSHRMAPK1
SCHEMBL19612335 0.73 ALDH1A1 (0.50) KDM4EMAPTGAATUBB1ALDH1A1

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
US-8802895-B2 Amide derivatives of benzene-sulfonanilide, pharmaceutical composition thereof and method for cancer treatment using the same CLEVELAND STATE UNIVERSITY (US) 2014-08-12 US disclosed
EP-2629767-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME Cleveland State University (US) 2013-08-28 EP disclosed
WO-2012054417-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME CLEVELAND STATE UNIVERSITY (US) 2012-04-26 WO disclosed
US-20120095092-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME CLEVELAND STATE UNIVERSITY 2012-04-19 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-20120095092-A1 AMIDE DERIVATIVES OF BENZENE-SULFONANILIDE, PHARMACEUTICAL COMPOSITION THEREOF AND METHOD FOR CANCER TREATMENT USING THE SAME RB1, BCR, NRAS KDM4E 350/4885MAPT 4774/4885GAA 3148/4885

“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.