SCHEMBL1534552

SCHEMBL1534552

COc1c(CO)ccc2cnn(S(=O)(=O)N(C)C)c12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
SORD Q00796 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SUV39H2 Q9H5I1 3/20 0.32
NPBWR1 P48145 1/20 0.31
MCHR1 Q99705 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL1534571 0.79 L3MBTL1 (0.39) CA12CA1CA2CA9MEN1
SCHEMBL1534549 0.78 CA1 (0.34) CA12CA1CA2CA9MEN1
SCHEMBL1534551 0.71 XIAP (0.36) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL1534661 0.71 XIAP (0.34) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL26654876 0.63 ALDH1A1 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL26654843 0.62 HIF1A (0.38) CA12CA1CA2CA9MEN1
SCHEMBL26654845 0.62 KMT2A (0.41) MEN1KMT2ANPSR1NPBWR1ALDH1A1
SCHEMBL5963023 0.60 ALDH1A1 (0.46) ALDH1A1HPGDMAPTHSD17B10
SCHEMBL31285652 0.58 MAPT (0.41) CA2ALDH1A1NPC1RAB9AMAPT
SCHEMBL14904070 0.58 RAB9A (0.35) MEN1KMT2ANPSR1ALDH1A1NPC1

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-8546376-B2 Pharmaceutical compounds ALMAC DISCOVERY LIMITED (GB) 2013-10-01 US disclosed
US-20120238541-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2012-09-20 US disclosed
EP-2473495-A1 PHARMACEUTICAL COMPOUNDS Almac Discovery Limited (GB) 2012-07-11 EP disclosed
WO-2011033265-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2011-03-24 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-20120238541-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PLK1, MTOR CA12 2076/4885CA1 2381/4885CA2 1167/4885

“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.