SCHEMBL907315

SCHEMBL907315

Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOCC(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.53
SIRT1 Q96EB6 9/20 0.51
SIRT2 Q8IXJ6 6/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SIRT3 Q9NTG7 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR55 Q9Y2T6 1/20 0.45

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
SCHEMBL907317 0.85 STAT3 (0.48) STAT3SIRT1SIRT2MAPTNPSR1
SCHEMBL907197 0.82 SIRT1 (0.59) SIRT1SIRT2ALDH1A1MAPTNPSR1
Hydrochloric Acid SCHEMBL907374 0.80 SIRT1 (0.72) SIRT1SIRT2SIRT3
SCHEMBL2344788 0.78 KMT2A (0.68) SIRT1SIRT2ALDH1A1MAPTNPSR1
SCHEMBL2344118 0.76 KMT2A (0.65) SIRT1SIRT2ALDH1A1MAPTNPSR1
SCHEMBL28568878 0.76 KMT2A (0.65) SIRT1SIRT2ALDH1A1MAPTNPSR1
SCHEMBL30538671 0.75 KMT2A (0.64) SIRT1SIRT2ALDH1A1MAPTNPSR1
SCHEMBL30538669 0.74 SIRT1 (0.61) SIRT1SIRT2ALDH1A1MAPTNPSR1
SCHEMBL30538668 0.73 MEN1 (0.59) SIRT1SIRT2ALDH1A1MAPTMEN1
SCHEMBL12067341 0.73 SIRT1 (0.71) SIRT1SIRT2ALDH1A1MAPTNPSR1

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-8501991-B2 P53 activating compounds UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2013-08-06 US disclosed
US-20110021529-A1 P53 ACTIVATING COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2011-01-27 US disclosed
EP-2099445-A2 P53 ACTIVATING BENZOYL UREA AND BENZOYL THIOUREA COMPOUNDS University Court of The University of Dundee (GB) 2009-09-16 EP disclosed
WO-2008029096-A2 P53 ACTIVATING BENZOYL UREA AND BENZOYL THIOUREA COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2008-03-13 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-20110021529-A1 P53 ACTIVATING COMPOUNDS TP53, TP53BP1, SIRT1 STAT3 82/4885SIRT1 3/4885SIRT2 6/4885

“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.