SCHEMBL2493218

SCHEMBL2493218

CSc1nc(CS(C)(=O)=O)cc(OS(=O)(=O)C(F)(F)F)n1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
PDE4A P27815 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
THRB P10828 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL111685 0.84 PKM (0.39) ALDH1A1PDE4APDE4CPDE4DKMT2A
SCHEMBL1598389 0.79 KMT2A (0.50) ALDH1A1PDE4APDE4CPDE4DKMT2A
SCHEMBL20985696 0.78 ALDH1A1 (0.36) ALDH1A1PDE4APDE4CPDE4DKMT2A
SCHEMBL8275393 0.77 HTR1D (0.33) ALDH1A1
SCHEMBL13707280 0.74 ALDH1A1 (0.36) ALDH1A1PDE4APDE4CPDE4DKMT2A
SCHEMBL1271969 0.71 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1THRBPOLB
SCHEMBL1272010 0.71 POLB (0.42) ALDH1A1KMT2AMEN1HTTPOLB
SCHEMBL3950317 0.66 P2RY12 (0.49) ALDH1A1KMT2AMEN1POLB
SCHEMBL14458076 0.64 LMNA (0.42) ALDH1A1PDE4APDE4CPDE4DKMT2A
SCHEMBL1314787 0.64 PDE4A (0.41) PDE4APDE4CPDE4DKMT2AMEN1

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
EP-2379530-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER AstraZeneca AB (SE) 2011-10-26 EP disclosed
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 US disclosed
WO-2010073034-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2010-07-01 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-20110053923-A1 CHEMICAL COMPOUNDS 610 ABCG2, CYP3A7, CYP2C19 ALDH1A1 112/4885PDE4A 1181/4885PDE4C 1429/4885

“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.